4-{2,14,14,17,17-pentamethyl-2,10-diazatetracyclo[9.8.0.0³,⁸.0¹³,¹⁸]nonadeca-1(11),3(8),4,6,9,12,18-heptaen-9-yl}benzoic acid

Compound number:
MolPort-003-983-776
CAS number: 155877-83-1
IUPAC:
4-{2,14,14,17,17-pentamethyl-2,10-diazatetracyclo[9.8.0.0³,⁸.0¹³,¹⁸]nonadeca-1(11),3(8),4,6,9,12,18-heptaen-9-yl}benzoic acid
IUPAC traditional:
4-{2,14,14,17,17-pentamethyl-2,10-diazatetracyclo[9.8.0.0³,⁸.0¹³,¹⁸]nonadeca-1(11),3(8),4,6,9,12,18-heptaen-9-yl}benzoic acid
SMILES:
CN1c2cc3c(cc2N=C(c2ccc(cc2)C(O)=O)c2ccccc12)C(C)(C)CCC3(C)C |t:9|
InChI key:
YZZAIQOVMHVWBS-UHFFFAOYSA-N
Molecular formula:
C29H30N2O2
Molecular weight: 438.571
Sample Reformatting

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Supplier Catalogue Data


Catalog: Screening compound Ships out: 2 business days Purity: 98.0
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Catalog: Building blocks Ships out: 10 business days Purity: > 99%
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More Information

Compound Identifiers
Compound number: MolPort-003-983-776
CAS number: 155877-83-1

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000008022476
MFCD06798318
4-(5,7,7,10,10-Pentamethyl-7,8,9,10-tetrahydro-5H-5,12-diaza-benzo[4,5]cyclohepta[1,2-b]naphthalen-13-yl)-benzoic acid
4-(7,8,9,10-tetrahydro-5,7,7,10,10-pentamethyl-5H-benzo[e]naphtho[2,3-b][1,4]diazepin-13-yl)-benzoic acid
Benzoic acid, 4-(7,8,9,10-tetrahydro-5,7,7,10,10-pentamethyl-5H-benzo[e]naphtho[2,3-b][1,4]diazepin-13-yl)-
LE 135

InChI
InChI: 1S/C29H30N2O2/c1-28(2)14-15-29(3,4)22-17-25-23(16-21(22)28)30-26(18-10-12-19(13-11-18)27(32)33)20-8-6-7-9-24(20)31(25)5/h6-13,16-17H,14-15H2,1-5H3,(H,32,33)
InChI key: YZZAIQOVMHVWBS-UHFFFAOYSA-N

Calculated Properties
Molecular formula: C29H30N2O2
Molecular weight: 438.571

Other

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Small molecule library types and suppliers
2019 MolPort, v3.22, release date 14-10-2019 15:00 (+0200). All rights reserved.
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