3,5-bis(3,4-dihydrocarbazol-9-yl)benzonitrile

C31H23N3 — CID 174292944

IUPAC3,5-bis(3,4-dihydrocarbazol-9-yl)benzonitrile
SMILESN#Cc1cc(-n2c3c(c4ccccc42)CCC=C3)cc(-n2c3c(c4ccccc42)CCC=C3)c1
InChIInChI=1S/C31H23N3/c32-20-21-17-22(33-28-13-5-1-9-24(28)25-10-2-6-14-29(25)33)19-23(18-21)34-30-15-7-3-11-26(30)27-12-4-8-16-31(27)34/h1,3,5-9,11,13-19H,2,4,10,12H2
InChIKeyZNYYVRHQVDBHGQ-UHFFFAOYSA-N
MW437.55 g/mol
LogP7.36
Rot. Bonds2

About 3,5-bis(3,4-dihydrocarbazol-9-yl)benzonitrile

3,5-bis(3,4-dihydrocarbazol-9-yl)benzonitrile (PubChem CID 174292944) has the molecular formula C31H23N3 and a molecular weight of 437.55 g/mol. Its IUPAC name is 3,5-bis(3,4-dihydrocarbazol-9-yl)benzonitrile.

Molecular Properties

Compound Name3,5-bis(3,4-dihydrocarbazol-9-yl)benzonitrile
PubChem CID174292944
Molecular FormulaC31H23N3
Molecular Weight437.55 g/mol
Exact Mass437.19
IUPAC Name3,5-bis(3,4-dihydrocarbazol-9-yl)benzonitrile
SMILESN#Cc1cc(-n2c3c(c4ccccc42)CCC=C3)cc(-n2c3c(c4ccccc42)CCC=C3)c1
InChIInChI=1S/C31H23N3/c32-20-21-17-22(33-28-13-5-1-9-24(28)25-10-2-6-14-29(25)33)19-23(18-21)34-30-15-7-3-11-26(30)27-12-4-8-16-31(27)34/h1,3,5-9,11,13-19H,2,4,10,12H2
InChIKeyZNYYVRHQVDBHGQ-UHFFFAOYSA-N
XLogP7.36
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 ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dihydropyrido[3,4-b]indol-9-yl)-5-(5,6-dihydropyrido[3,4-b]indol-9-yl)benzonitrile
CID 166777800
2-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 118983962
3-(3-tert-butylcarbazol-9-yl)-5-[3-(6-tert-butyl-3,4-dihydrocarbazol-9-yl)phenyl]benzonitrile
CID 163851325
3-[3-[9-[4-(4-phenylphenyl)phenyl]-5,6-dihydrocarbazol-3-yl]carbazol-9-yl]benzonitrile
CID 163484812
4,6-di(carbazol-9-yl)-2-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 146580320
5-[2,4,5-tri(carbazol-9-yl)-3-(3,4-dihydrocarbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
CID 145186417
N-(4-carbazol-9-ylphenyl)-N-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-4-(3,4,5,6-tetrahydrocarbazol-9-yl)aniline
CID 130371057
4-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-5-phenylbenzene-1,3-dicarbonitrile
CID 166727336
3-carbazol-9-yl-5-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-(3,4-dihydrocarbazol-9-yl)phenyl]benzonitrile
CID 142533853
9-(6-triphenylen-2-ylnaphthalen-2-yl)-3,4-dihydrocarbazole
CID 123813680
11-phenyl-12-[3-[3-(12-phenyl-7,8-dihydroindolo[2,3-a]carbazol-11-yl)-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazole
CID 88912475
5-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenoxy]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 145157990

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(3,4-dihydrocarbazol-9-yl)benzonitrile?
The IUPAC name of 3,5-bis(3,4-dihydrocarbazol-9-yl)benzonitrile (CID 174292944) is 3,5-bis(3,4-dihydrocarbazol-9-yl)benzonitrile.
What is the SMILES notation for 3,5-bis(3,4-dihydrocarbazol-9-yl)benzonitrile?
The canonical SMILES for 3,5-bis(3,4-dihydrocarbazol-9-yl)benzonitrile is N#Cc1cc(-n2c3c(c4ccccc42)CCC=C3)cc(-n2c3c(c4ccccc42)CCC=C3)c1.
What is the InChIKey of 3,5-bis(3,4-dihydrocarbazol-9-yl)benzonitrile?
The InChIKey is ZNYYVRHQVDBHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N3/c32-20-21-17-22(33-28-13-5-1-9-24(28)25-10-2-6-14-29(25)33)19-23(18-21)34-30-15-7-3-11-26(30)27-12-4-8-16-31(27)34/h1,3,5-9,11,13-19H,2,4,10,12H2.
What are the key properties of 3,5-bis(3,4-dihydrocarbazol-9-yl)benzonitrile?
3,5-bis(3,4-dihydrocarbazol-9-yl)benzonitrile has a molecular weight of 437.55 g/mol, XLogP of 7.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(3,4-dihydrocarbazol-9-yl)benzonitrile is sourced from PubChem (CID 174292944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).