6-[1-(1,2-dihydrocarbazol-9-yl)carbazol-9-yl]cyclohexa-1,3-diene-1-carbonitrile

C31H23N3 — CID 146518039

IUPAC6-[1-(1,2-dihydrocarbazol-9-yl)carbazol-9-yl]cyclohexa-1,3-diene-1-carbonitrile
SMILESN#CC1=CC=CCC1n1c2ccccc2c2cccc(-n3c4c(c5ccccc53)C=CCC4)c21
InChIInChI=1S/C31H23N3/c32-20-21-10-1-5-15-26(21)34-29-18-8-4-13-24(29)25-14-9-19-30(31(25)34)33-27-16-6-2-11-22(27)23-12-3-7-17-28(23)33/h1-6,8-14,16,18-19,26H,7,15,17H2
InChIKeyDZCBBVPRLKUOLM-UHFFFAOYSA-N
MW437.55 g/mol
LogP7.65
Rot. Bonds2

About 6-[1-(1,2-dihydrocarbazol-9-yl)carbazol-9-yl]cyclohexa-1,3-diene-1-carbonitrile

6-[1-(1,2-dihydrocarbazol-9-yl)carbazol-9-yl]cyclohexa-1,3-diene-1-carbonitrile (PubChem CID 146518039) has the molecular formula C31H23N3 and a molecular weight of 437.55 g/mol. Its IUPAC name is 6-[1-(1,2-dihydrocarbazol-9-yl)carbazol-9-yl]cyclohexa-1,3-diene-1-carbonitrile.

Molecular Properties

Compound Name6-[1-(1,2-dihydrocarbazol-9-yl)carbazol-9-yl]cyclohexa-1,3-diene-1-carbonitrile
PubChem CID146518039
Molecular FormulaC31H23N3
Molecular Weight437.55 g/mol
Exact Mass437.19
IUPAC Name6-[1-(1,2-dihydrocarbazol-9-yl)carbazol-9-yl]cyclohexa-1,3-diene-1-carbonitrile
SMILESN#CC1=CC=CCC1n1c2ccccc2c2cccc(-n3c4c(c5ccccc53)C=CCC4)c21
InChIInChI=1S/C31H23N3/c32-20-21-10-1-5-15-26(21)34-29-18-8-4-13-24(29)25-14-9-19-30(31(25)34)33-27-16-6-2-11-22(27)23-12-3-7-17-28(23)33/h1-6,8-14,16,18-19,26H,7,15,17H2
InChIKeyDZCBBVPRLKUOLM-UHFFFAOYSA-N
XLogP7.65
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.55
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[6-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-4-yl]carbazole
CID 134388922
9-[3-cyano-2-[3-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]-7,8-dihydrocarbazole-4-carbonitrile
CID 167280509
4-carbazol-9-yl-3-(7,8-dihydro-6H-cyclohepta[b]indol-5-yl)benzonitrile
CID 134217246
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
9-(1-propan-2-ylbenzimidazol-4-yl)-1,2-dihydrocarbazole
CID 155748511
9-cyclohexa-1,3-dien-1-yl-1-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-1-yl]carbazole
CID 169037269
3,5-bis(3-tert-butylcarbazol-9-yl)-2,4-di(carbazol-9-yl)-6-(1,2-dihydrocarbazol-9-yl)benzonitrile
CID 163657279
9-[5-cyano-2-[3-cyano-5-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 167280770
[4-(1,2-dihydrocarbazol-9-yl)phenyl]boronic acid
CID 154692123
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
2-(2-carbazol-9-ylphenyl)-5-[3-cyano-5-(1,2-dihydrocarbazol-9-yl)phenyl]benzonitrile
CID 163584925

Frequently Asked Questions

What is the IUPAC name of 6-[1-(1,2-dihydrocarbazol-9-yl)carbazol-9-yl]cyclohexa-1,3-diene-1-carbonitrile?
The IUPAC name of 6-[1-(1,2-dihydrocarbazol-9-yl)carbazol-9-yl]cyclohexa-1,3-diene-1-carbonitrile (CID 146518039) is 6-[1-(1,2-dihydrocarbazol-9-yl)carbazol-9-yl]cyclohexa-1,3-diene-1-carbonitrile.
What is the SMILES notation for 6-[1-(1,2-dihydrocarbazol-9-yl)carbazol-9-yl]cyclohexa-1,3-diene-1-carbonitrile?
The canonical SMILES for 6-[1-(1,2-dihydrocarbazol-9-yl)carbazol-9-yl]cyclohexa-1,3-diene-1-carbonitrile is N#CC1=CC=CCC1n1c2ccccc2c2cccc(-n3c4c(c5ccccc53)C=CCC4)c21.
What is the InChIKey of 6-[1-(1,2-dihydrocarbazol-9-yl)carbazol-9-yl]cyclohexa-1,3-diene-1-carbonitrile?
The InChIKey is DZCBBVPRLKUOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N3/c32-20-21-10-1-5-15-26(21)34-29-18-8-4-13-24(29)25-14-9-19-30(31(25)34)33-27-16-6-2-11-22(27)23-12-3-7-17-28(23)33/h1-6,8-14,16,18-19,26H,7,15,17H2.
What are the key properties of 6-[1-(1,2-dihydrocarbazol-9-yl)carbazol-9-yl]cyclohexa-1,3-diene-1-carbonitrile?
6-[1-(1,2-dihydrocarbazol-9-yl)carbazol-9-yl]cyclohexa-1,3-diene-1-carbonitrile has a molecular weight of 437.55 g/mol, XLogP of 7.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(1,2-dihydrocarbazol-9-yl)carbazol-9-yl]cyclohexa-1,3-diene-1-carbonitrile is sourced from PubChem (CID 146518039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).