4-carbazol-9-yl-3-(7,8-dihydro-6H-cyclohepta[b]indol-5-yl)benzonitrile

C32H23N3 — CID 134217246

IUPAC4-carbazol-9-yl-3-(7,8-dihydro-6H-cyclohepta[b]indol-5-yl)benzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3ccccc32)c(-n2c3c(c4ccccc42)C=CCCC3)c1
InChIInChI=1S/C32H23N3/c33-21-22-18-19-31(34-27-15-7-4-11-24(27)25-12-5-8-16-28(25)34)32(20-22)35-29-14-3-1-2-10-23(29)26-13-6-9-17-30(26)35/h2,4-13,15-20H,1,3,14H2
InChIKeyWJKKKMGXBSUHKY-UHFFFAOYSA-N
MW449.56 g/mol
LogP7.95
Rot. Bonds2

About 4-carbazol-9-yl-3-(7,8-dihydro-6H-cyclohepta[b]indol-5-yl)benzonitrile

4-carbazol-9-yl-3-(7,8-dihydro-6H-cyclohepta[b]indol-5-yl)benzonitrile (PubChem CID 134217246) has the molecular formula C32H23N3 and a molecular weight of 449.56 g/mol. Its IUPAC name is 4-carbazol-9-yl-3-(7,8-dihydro-6H-cyclohepta[b]indol-5-yl)benzonitrile.

Molecular Properties

Compound Name4-carbazol-9-yl-3-(7,8-dihydro-6H-cyclohepta[b]indol-5-yl)benzonitrile
PubChem CID134217246
Molecular FormulaC32H23N3
Molecular Weight449.56 g/mol
Exact Mass449.19
IUPAC Name4-carbazol-9-yl-3-(7,8-dihydro-6H-cyclohepta[b]indol-5-yl)benzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3ccccc32)c(-n2c3c(c4ccccc42)C=CCCC3)c1
InChIInChI=1S/C32H23N3/c33-21-22-18-19-31(34-27-15-7-4-11-24(27)25-12-5-8-16-28(25)34)32(20-22)35-29-14-3-1-2-10-23(29)26-13-6-9-17-30(26)35/h2,4-13,15-20H,1,3,14H2
InChIKeyWJKKKMGXBSUHKY-UHFFFAOYSA-N
XLogP7.95
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.56
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-phenyl-7,8-dihydro-6H-cyclohepta[b]indole
CID 143532296
9-[5-cyano-2-[3-cyano-5-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 167280770
5-[2,4-di(carbazol-9-yl)-6-(1,2-dihydrocarbazol-9-yl)-3,5-diphenylphenyl]benzene-1,3-dicarbonitrile
CID 163927209
9-[2-[2-[2-cyano-4-(7,8-dihydro-6H-cyclohepta[b]indol-5-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 167279994
4-carbazol-9-yl-3-[4-[5-cyano-2-(6,7-didehydro-8H-cyclohepta[b]indol-5-yl)phenyl]cyclohexa-1,3-dien-1-yl]benzonitrile
CID 155080366
9-[6-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-4-yl]carbazole
CID 134388922
2-(2-carbazol-9-ylphenyl)-5-[3-cyano-5-(1,2-dihydrocarbazol-9-yl)phenyl]benzonitrile
CID 163584925
3,5-bis(3-tert-butylcarbazol-9-yl)-2,4-di(carbazol-9-yl)-6-(1,2-dihydrocarbazol-9-yl)benzonitrile
CID 163657279
4-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-3-[2-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzonitrile
CID 164743889
2-(3-carbazol-9-ylcarbazol-9-yl)-6-[3-(1,2-dihydrocarbazol-9-yl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile
CID 155216707
[4-(1,2-dihydrocarbazol-9-yl)phenyl]boronic acid
CID 154692123
3-(2-carbazol-9-yl-5-cyanophenyl)-4-(10-methyl-10,11-dihydro-[1]benzofuro[3,2-a]carbazol-12-yl)benzonitrile
CID 155299843

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-3-(7,8-dihydro-6H-cyclohepta[b]indol-5-yl)benzonitrile?
The IUPAC name of 4-carbazol-9-yl-3-(7,8-dihydro-6H-cyclohepta[b]indol-5-yl)benzonitrile (CID 134217246) is 4-carbazol-9-yl-3-(7,8-dihydro-6H-cyclohepta[b]indol-5-yl)benzonitrile.
What is the SMILES notation for 4-carbazol-9-yl-3-(7,8-dihydro-6H-cyclohepta[b]indol-5-yl)benzonitrile?
The canonical SMILES for 4-carbazol-9-yl-3-(7,8-dihydro-6H-cyclohepta[b]indol-5-yl)benzonitrile is N#Cc1ccc(-n2c3ccccc3c3ccccc32)c(-n2c3c(c4ccccc42)C=CCCC3)c1.
What is the InChIKey of 4-carbazol-9-yl-3-(7,8-dihydro-6H-cyclohepta[b]indol-5-yl)benzonitrile?
The InChIKey is WJKKKMGXBSUHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23N3/c33-21-22-18-19-31(34-27-15-7-4-11-24(27)25-12-5-8-16-28(25)34)32(20-22)35-29-14-3-1-2-10-23(29)26-13-6-9-17-30(26)35/h2,4-13,15-20H,1,3,14H2.
What are the key properties of 4-carbazol-9-yl-3-(7,8-dihydro-6H-cyclohepta[b]indol-5-yl)benzonitrile?
4-carbazol-9-yl-3-(7,8-dihydro-6H-cyclohepta[b]indol-5-yl)benzonitrile has a molecular weight of 449.56 g/mol, XLogP of 7.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-3-(7,8-dihydro-6H-cyclohepta[b]indol-5-yl)benzonitrile is sourced from PubChem (CID 134217246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).