9-(2-cyanophenyl)-7-(6-cyano-1,2,6,7-tetrahydrocarbazol-9-yl)carbazole-3-carbonitrile

C33H21N5 — CID 146518124

IUPAC9-(2-cyanophenyl)-7-(6-cyano-1,2,6,7-tetrahydrocarbazol-9-yl)carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccc(-n3c4c(c5c3=CCC(C#N)C=5)C=CCC4)cc1n2-c1ccccc1C#N
InChIInChI=1S/C33H21N5/c34-18-21-9-13-31-27(15-21)25-6-2-4-8-30(25)37(31)24-11-12-26-28-16-22(19-35)10-14-32(28)38(33(26)17-24)29-7-3-1-5-23(29)20-36/h1-3,5-7,10-17,21H,4,8-9H2
InChIKeyJXKJPZXVKNITHV-UHFFFAOYSA-N
MW487.57 g/mol
LogP5.38
Rot. Bonds2

About 9-(2-cyanophenyl)-7-(6-cyano-1,2,6,7-tetrahydrocarbazol-9-yl)carbazole-3-carbonitrile

9-(2-cyanophenyl)-7-(6-cyano-1,2,6,7-tetrahydrocarbazol-9-yl)carbazole-3-carbonitrile (PubChem CID 146518124) has the molecular formula C33H21N5 and a molecular weight of 487.57 g/mol. Its IUPAC name is 9-(2-cyanophenyl)-7-(6-cyano-1,2,6,7-tetrahydrocarbazol-9-yl)carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-(2-cyanophenyl)-7-(6-cyano-1,2,6,7-tetrahydrocarbazol-9-yl)carbazole-3-carbonitrile
PubChem CID146518124
Molecular FormulaC33H21N5
Molecular Weight487.57 g/mol
Exact Mass487.18
IUPAC Name9-(2-cyanophenyl)-7-(6-cyano-1,2,6,7-tetrahydrocarbazol-9-yl)carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccc(-n3c4c(c5c3=CCC(C#N)C=5)C=CCC4)cc1n2-c1ccccc1C#N
InChIInChI=1S/C33H21N5/c34-18-21-9-13-31-27(15-21)25-6-2-4-8-30(25)37(31)24-11-12-26-28-16-22(19-35)10-14-32(28)38(33(26)17-24)29-7-3-1-5-23(29)20-36/h1-3,5-7,10-17,21H,4,8-9H2
InChIKeyJXKJPZXVKNITHV-UHFFFAOYSA-N
XLogP5.38
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.57
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[(8aS)-6-cyano-1,2,8,8a-tetrahydrocarbazol-9-yl]-9-(2-cyanophenyl)carbazole-3-carbonitrile
CID 146519238
9-[4-[6-(2-carbazol-9-ylphenyl)-3-cyanocyclohexa-1,5-dien-1-yl]phenyl]carbazole-2-carbonitrile
CID 155085668
9-[5-cyano-2-[3-cyano-5-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 167280770
9-(3-cyanophenyl)-8-[2-[9-(2-cyanophenyl)carbazol-3-yl]cyclohexa-1,5-dien-1-yl]-3,4-dihydrocarbazole-3-carbonitrile
CID 146185736
6-carbazol-9-yl-9-[2-(4-carbazol-9-yl-3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 154958499
9-[9-[4-(4-carbazol-9-ylphenyl)-2-cyanophenyl]carbazol-3-yl]carbazole-2-carbonitrile
CID 154958176
6-carbazol-9-yl-9-[2-cyano-4-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 154958315
6-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 149191639
2-[2-fluoro-7-(2-methyl-2,3-dihydrocarbazol-9-yl)carbazol-9-yl]benzonitrile
CID 163680138
8-carbazol-9-yl-9-[4-[3-cyano-4-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-2-carbonitrile
CID 154958974
4-[3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 122418325
9-[4-[2-(2-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 147841230

Frequently Asked Questions

What is the IUPAC name of 9-(2-cyanophenyl)-7-(6-cyano-1,2,6,7-tetrahydrocarbazol-9-yl)carbazole-3-carbonitrile?
The IUPAC name of 9-(2-cyanophenyl)-7-(6-cyano-1,2,6,7-tetrahydrocarbazol-9-yl)carbazole-3-carbonitrile (CID 146518124) is 9-(2-cyanophenyl)-7-(6-cyano-1,2,6,7-tetrahydrocarbazol-9-yl)carbazole-3-carbonitrile.
What is the SMILES notation for 9-(2-cyanophenyl)-7-(6-cyano-1,2,6,7-tetrahydrocarbazol-9-yl)carbazole-3-carbonitrile?
The canonical SMILES for 9-(2-cyanophenyl)-7-(6-cyano-1,2,6,7-tetrahydrocarbazol-9-yl)carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccc(-n3c4c(c5c3=CCC(C#N)C=5)C=CCC4)cc1n2-c1ccccc1C#N.
What is the InChIKey of 9-(2-cyanophenyl)-7-(6-cyano-1,2,6,7-tetrahydrocarbazol-9-yl)carbazole-3-carbonitrile?
The InChIKey is JXKJPZXVKNITHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N5/c34-18-21-9-13-31-27(15-21)25-6-2-4-8-30(25)37(31)24-11-12-26-28-16-22(19-35)10-14-32(28)38(33(26)17-24)29-7-3-1-5-23(29)20-36/h1-3,5-7,10-17,21H,4,8-9H2.
What are the key properties of 9-(2-cyanophenyl)-7-(6-cyano-1,2,6,7-tetrahydrocarbazol-9-yl)carbazole-3-carbonitrile?
9-(2-cyanophenyl)-7-(6-cyano-1,2,6,7-tetrahydrocarbazol-9-yl)carbazole-3-carbonitrile has a molecular weight of 487.57 g/mol, XLogP of 5.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-cyanophenyl)-7-(6-cyano-1,2,6,7-tetrahydrocarbazol-9-yl)carbazole-3-carbonitrile is sourced from PubChem (CID 146518124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).