3-[6-[9-(3-cyanophenyl)carbazol-3-yl]-4a,9a-dihydrocarbazol-9-yl]benzonitrile

C38H24N4 — CID 170189437

IUPAC3-[6-[9-(3-cyanophenyl)carbazol-3-yl]-4a,9a-dihydrocarbazol-9-yl]benzonitrile
SMILESN#Cc1cccc(N2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(C#N)c4)cc3C3C=CC=CC32)c1
InChIInChI=1S/C38H24N4/c39-23-25-7-5-9-29(19-25)41-35-13-3-1-11-31(35)33-21-27(15-17-37(33)41)28-16-18-38-34(22-28)32-12-2-4-14-36(32)42(38)30-10-6-8-26(20-30)24-40/h1-22,31,35H
InChIKeyXEWLLGPZRWABLN-UHFFFAOYSA-N
MW536.64 g/mol
LogP8.92
Rot. Bonds3

About 3-[6-[9-(3-cyanophenyl)carbazol-3-yl]-4a,9a-dihydrocarbazol-9-yl]benzonitrile

3-[6-[9-(3-cyanophenyl)carbazol-3-yl]-4a,9a-dihydrocarbazol-9-yl]benzonitrile (PubChem CID 170189437) has the molecular formula C38H24N4 and a molecular weight of 536.64 g/mol. Its IUPAC name is 3-[6-[9-(3-cyanophenyl)carbazol-3-yl]-4a,9a-dihydrocarbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name3-[6-[9-(3-cyanophenyl)carbazol-3-yl]-4a,9a-dihydrocarbazol-9-yl]benzonitrile
PubChem CID170189437
Molecular FormulaC38H24N4
Molecular Weight536.64 g/mol
Exact Mass536.20
IUPAC Name3-[6-[9-(3-cyanophenyl)carbazol-3-yl]-4a,9a-dihydrocarbazol-9-yl]benzonitrile
SMILESN#Cc1cccc(N2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(C#N)c4)cc3C3C=CC=CC32)c1
InChIInChI=1S/C38H24N4/c39-23-25-7-5-9-29(19-25)41-35-13-3-1-11-31(35)33-21-27(15-17-37(33)41)28-16-18-38-34(22-28)32-12-2-4-14-36(32)42(38)30-10-6-8-26(20-30)24-40/h1-22,31,35H
InChIKeyXEWLLGPZRWABLN-UHFFFAOYSA-N
XLogP8.92
TPSA55.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.64
LogP ≤ 58.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 123217944
9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170079369
3-[9-(3-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 145339560
9-(4-phenylphenyl)-3-[9-[4-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170269959
9-[4-(3-methylphenyl)phenyl]-3-[9-[4-(3-methylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 144943124
9-phenyl-2-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole
CID 144596228
3-(4a,9a-dihydrocarbazol-9-yl)-5-(3-carbazol-9-yl-5-cyanophenyl)benzonitrile
CID 165401491
5,11-bis(3-carbazol-9-ylphenyl)-4a,12b-dihydroindolo[3,2-b]carbazole
CID 170205828
9-phenyl-3-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-yl]carbazole
CID 156557997
9-[2-(2-carbazol-9-ylphenyl)phenyl]-4b,8a-dihydrocarbazole-3-carbonitrile
CID 147061699
9-phenyl-3-[9-(4-phenylquinolin-2-yl)-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 166750436
9-phenyl-3-[9-(4-pyridin-3-ylphenyl)-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 129074552

Frequently Asked Questions

What is the IUPAC name of 3-[6-[9-(3-cyanophenyl)carbazol-3-yl]-4a,9a-dihydrocarbazol-9-yl]benzonitrile?
The IUPAC name of 3-[6-[9-(3-cyanophenyl)carbazol-3-yl]-4a,9a-dihydrocarbazol-9-yl]benzonitrile (CID 170189437) is 3-[6-[9-(3-cyanophenyl)carbazol-3-yl]-4a,9a-dihydrocarbazol-9-yl]benzonitrile.
What is the SMILES notation for 3-[6-[9-(3-cyanophenyl)carbazol-3-yl]-4a,9a-dihydrocarbazol-9-yl]benzonitrile?
The canonical SMILES for 3-[6-[9-(3-cyanophenyl)carbazol-3-yl]-4a,9a-dihydrocarbazol-9-yl]benzonitrile is N#Cc1cccc(N2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(C#N)c4)cc3C3C=CC=CC32)c1.
What is the InChIKey of 3-[6-[9-(3-cyanophenyl)carbazol-3-yl]-4a,9a-dihydrocarbazol-9-yl]benzonitrile?
The InChIKey is XEWLLGPZRWABLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N4/c39-23-25-7-5-9-29(19-25)41-35-13-3-1-11-31(35)33-21-27(15-17-37(33)41)28-16-18-38-34(22-28)32-12-2-4-14-36(32)42(38)30-10-6-8-26(20-30)24-40/h1-22,31,35H.
What are the key properties of 3-[6-[9-(3-cyanophenyl)carbazol-3-yl]-4a,9a-dihydrocarbazol-9-yl]benzonitrile?
3-[6-[9-(3-cyanophenyl)carbazol-3-yl]-4a,9a-dihydrocarbazol-9-yl]benzonitrile has a molecular weight of 536.64 g/mol, XLogP of 8.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[9-(3-cyanophenyl)carbazol-3-yl]-4a,9a-dihydrocarbazol-9-yl]benzonitrile is sourced from PubChem (CID 170189437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).