2-(5,9-diphenylcarbazol-1-yl)benzene-1,3-dicarbonitrile

C32H19N3 — CID 155357386

IUPAC2-(5,9-diphenylcarbazol-1-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-c1cccc2c3c(-c4ccccc4)cccc3n(-c3ccccc3)c12
InChIInChI=1S/C32H19N3/c33-20-23-12-7-13-24(21-34)30(23)27-17-8-18-28-31-26(22-10-3-1-4-11-22)16-9-19-29(31)35(32(27)28)25-14-5-2-6-15-25/h1-19H
InChIKeyIHPVRYQJXWAUOF-UHFFFAOYSA-N
MW445.53 g/mol
LogP7.86
Rot. Bonds3

About 2-(5,9-diphenylcarbazol-1-yl)benzene-1,3-dicarbonitrile

2-(5,9-diphenylcarbazol-1-yl)benzene-1,3-dicarbonitrile (PubChem CID 155357386) has the molecular formula C32H19N3 and a molecular weight of 445.53 g/mol. Its IUPAC name is 2-(5,9-diphenylcarbazol-1-yl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-(5,9-diphenylcarbazol-1-yl)benzene-1,3-dicarbonitrile
PubChem CID155357386
Molecular FormulaC32H19N3
Molecular Weight445.53 g/mol
Exact Mass445.16
IUPAC Name2-(5,9-diphenylcarbazol-1-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-c1cccc2c3c(-c4ccccc4)cccc3n(-c3ccccc3)c12
InChIInChI=1S/C32H19N3/c33-20-23-12-7-13-24(21-34)30(23)27-17-8-18-28-31-26(22-10-3-1-4-11-22)16-9-19-29(31)35(32(27)28)25-14-5-2-6-15-25/h1-19H
InChIKeyIHPVRYQJXWAUOF-UHFFFAOYSA-N
XLogP7.86
TPSA52.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.53
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(2-cyano-6-isocyanophenyl)-9-phenylcarbazol-1-yl]benzene-1,3-dicarbonitrile
CID 155645689
2-[8-(2,6-dicyanophenyl)-9-(4-phenylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile
CID 155357809
2-[5-(2-cyano-6-isocyanophenyl)-9-(3,5-diphenylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile
CID 155645720
2-(3,9-diphenylcarbazol-4-yl)benzene-1,3-dicarbonitrile
CID 155357747
2-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]benzene-1,3-dicarbonitrile
CID 122433645
2-[4-(9-carbazol-9-yl-5-phenylindolo[3,2-c]carbazol-12-yl)-2-phenylphenyl]benzene-1,3-dicarbonitrile
CID 147481564
5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,9-diphenylcarbazole
CID 118299151
2-[9-(3-carbazol-9-ylphenyl)-8-(2,6-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 155357604
2-(3,6,9-triphenylcarbazol-1-yl)benzene-1,3-dicarbonitrile
CID 155357395
3,9-diphenyl-4-(9-phenylcarbazol-1-yl)carbazole
CID 90321729
2-[10-(5-phenylindolo[3,2-b]indol-10-yl)fluoranthen-7-yl]benzene-1,3-dicarbonitrile
CID 145009472
2-[8-(2-cyano-6-isocyanophenyl)-9-(4-phenylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile
CID 155645675

Frequently Asked Questions

What is the IUPAC name of 2-(5,9-diphenylcarbazol-1-yl)benzene-1,3-dicarbonitrile?
The IUPAC name of 2-(5,9-diphenylcarbazol-1-yl)benzene-1,3-dicarbonitrile (CID 155357386) is 2-(5,9-diphenylcarbazol-1-yl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-(5,9-diphenylcarbazol-1-yl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-(5,9-diphenylcarbazol-1-yl)benzene-1,3-dicarbonitrile is N#Cc1cccc(C#N)c1-c1cccc2c3c(-c4ccccc4)cccc3n(-c3ccccc3)c12.
What is the InChIKey of 2-(5,9-diphenylcarbazol-1-yl)benzene-1,3-dicarbonitrile?
The InChIKey is IHPVRYQJXWAUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19N3/c33-20-23-12-7-13-24(21-34)30(23)27-17-8-18-28-31-26(22-10-3-1-4-11-22)16-9-19-29(31)35(32(27)28)25-14-5-2-6-15-25/h1-19H.
What are the key properties of 2-(5,9-diphenylcarbazol-1-yl)benzene-1,3-dicarbonitrile?
2-(5,9-diphenylcarbazol-1-yl)benzene-1,3-dicarbonitrile has a molecular weight of 445.53 g/mol, XLogP of 7.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,9-diphenylcarbazol-1-yl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 155357386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).