3-carbazol-9-yl-5-[3-[3-(3-cyanophenyl)phenyl]phenyl]benzonitrile

C38H23N3 — CID 126761593

IUPAC3-carbazol-9-yl-5-[3-[3-(3-cyanophenyl)phenyl]phenyl]benzonitrile
SMILESN#Cc1cccc(-c2cccc(-c3cccc(-c4cc(C#N)cc(-n5c6ccccc6c6ccccc65)c4)c3)c2)c1
InChIInChI=1S/C38H23N3/c39-24-26-8-5-9-28(18-26)29-10-6-11-30(21-29)31-12-7-13-32(22-31)33-19-27(25-40)20-34(23-33)41-37-16-3-1-14-35(37)36-15-2-4-17-38(36)41/h1-23H
InChIKeyGBHZLTWRVHXCKB-UHFFFAOYSA-N
MW521.62 g/mol
LogP9.53
Rot. Bonds4

About 3-carbazol-9-yl-5-[3-[3-(3-cyanophenyl)phenyl]phenyl]benzonitrile

3-carbazol-9-yl-5-[3-[3-(3-cyanophenyl)phenyl]phenyl]benzonitrile (PubChem CID 126761593) has the molecular formula C38H23N3 and a molecular weight of 521.62 g/mol. Its IUPAC name is 3-carbazol-9-yl-5-[3-[3-(3-cyanophenyl)phenyl]phenyl]benzonitrile.

Molecular Properties

Compound Name3-carbazol-9-yl-5-[3-[3-(3-cyanophenyl)phenyl]phenyl]benzonitrile
PubChem CID126761593
Molecular FormulaC38H23N3
Molecular Weight521.62 g/mol
Exact Mass521.19
IUPAC Name3-carbazol-9-yl-5-[3-[3-(3-cyanophenyl)phenyl]phenyl]benzonitrile
SMILESN#Cc1cccc(-c2cccc(-c3cccc(-c4cc(C#N)cc(-n5c6ccccc6c6ccccc65)c4)c3)c2)c1
InChIInChI=1S/C38H23N3/c39-24-26-8-5-9-28(18-26)29-10-6-11-30(21-29)31-12-7-13-32(22-31)33-19-27(25-40)20-34(23-33)41-37-16-3-1-14-35(37)36-15-2-4-17-38(36)41/h1-23H
InChIKeyGBHZLTWRVHXCKB-UHFFFAOYSA-N
XLogP9.53
TPSA52.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.62
LogP ≤ 59.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[3-cyano-5-(3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile
CID 126761640
9-[3-[3-(3-cyanophenyl)phenyl]-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
CID 126610493
3-[3-carbazol-9-yl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile
CID 139339673
9-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 118650216
3-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylcarbazol-9-yl)phenyl]benzonitrile;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 161408027
8-carbazol-9-yl-9-[3-(3-carbazol-9-ylphenyl)-5-cyanophenyl]carbazole-3-carbonitrile
CID 154958991
9-[3-cyano-5-(3-dibenzothiophen-2-ylphenyl)phenyl]carbazole-3-carbonitrile
CID 126761669
3-carbazol-9-yl-5-[3-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(3-carbazol-9-ylphenyl)-5-(3-isocyanocarbazol-9-yl)benzonitrile
CID 158377792
3-(3-carbazol-9-ylphenyl)-5-(3-isocyanocarbazol-9-yl)benzonitrile
CID 140852986
9-[3-cyano-5-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 167336187
9-[3-[3-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-5-cyanophenyl]carbazole-3-carbonitrile
CID 154958994
3-carbazol-9-yl-5-[3-(2-carbazol-9-yl-4-isocyanophenyl)phenyl]benzonitrile
CID 155603562

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-5-[3-[3-(3-cyanophenyl)phenyl]phenyl]benzonitrile?
The IUPAC name of 3-carbazol-9-yl-5-[3-[3-(3-cyanophenyl)phenyl]phenyl]benzonitrile (CID 126761593) is 3-carbazol-9-yl-5-[3-[3-(3-cyanophenyl)phenyl]phenyl]benzonitrile.
What is the SMILES notation for 3-carbazol-9-yl-5-[3-[3-(3-cyanophenyl)phenyl]phenyl]benzonitrile?
The canonical SMILES for 3-carbazol-9-yl-5-[3-[3-(3-cyanophenyl)phenyl]phenyl]benzonitrile is N#Cc1cccc(-c2cccc(-c3cccc(-c4cc(C#N)cc(-n5c6ccccc6c6ccccc65)c4)c3)c2)c1.
What is the InChIKey of 3-carbazol-9-yl-5-[3-[3-(3-cyanophenyl)phenyl]phenyl]benzonitrile?
The InChIKey is GBHZLTWRVHXCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N3/c39-24-26-8-5-9-28(18-26)29-10-6-11-30(21-29)31-12-7-13-32(22-31)33-19-27(25-40)20-34(23-33)41-37-16-3-1-14-35(37)36-15-2-4-17-38(36)41/h1-23H.
What are the key properties of 3-carbazol-9-yl-5-[3-[3-(3-cyanophenyl)phenyl]phenyl]benzonitrile?
3-carbazol-9-yl-5-[3-[3-(3-cyanophenyl)phenyl]phenyl]benzonitrile has a molecular weight of 521.62 g/mol, XLogP of 9.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-5-[3-[3-(3-cyanophenyl)phenyl]phenyl]benzonitrile is sourced from PubChem (CID 126761593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).