2-[8-(2,6-dicyanophenyl)-9-(4-phenylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile

C40H21N5 — CID 155357809

IUPAC2-[8-(2,6-dicyanophenyl)-9-(4-phenylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-c1cccc2c3cccc(-c4c(C#N)cccc4C#N)c3n(-c3ccc(-c4ccccc4)cc3)c12
InChIInChI=1S/C40H21N5/c41-22-28-10-4-11-29(23-42)37(28)35-16-6-14-33-34-15-7-17-36(38-30(24-43)12-5-13-31(38)25-44)40(34)45(39(33)35)32-20-18-27(19-21-32)26-8-2-1-3-9-26/h1-21H
InChIKeyHKBZLLUZDPCQLH-UHFFFAOYSA-N
MW571.64 g/mol
LogP9.27
Rot. Bonds4

About 2-[8-(2,6-dicyanophenyl)-9-(4-phenylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile

2-[8-(2,6-dicyanophenyl)-9-(4-phenylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile (PubChem CID 155357809) has the molecular formula C40H21N5 and a molecular weight of 571.64 g/mol. Its IUPAC name is 2-[8-(2,6-dicyanophenyl)-9-(4-phenylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-[8-(2,6-dicyanophenyl)-9-(4-phenylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile
PubChem CID155357809
Molecular FormulaC40H21N5
Molecular Weight571.64 g/mol
Exact Mass571.18
IUPAC Name2-[8-(2,6-dicyanophenyl)-9-(4-phenylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-c1cccc2c3cccc(-c4c(C#N)cccc4C#N)c3n(-c3ccc(-c4ccccc4)cc3)c12
InChIInChI=1S/C40H21N5/c41-22-28-10-4-11-29(23-42)37(28)35-16-6-14-33-34-15-7-17-36(38-30(24-43)12-5-13-31(38)25-44)40(34)45(39(33)35)32-20-18-27(19-21-32)26-8-2-1-3-9-26/h1-21H
InChIKeyHKBZLLUZDPCQLH-UHFFFAOYSA-N
XLogP9.27
TPSA100.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.64
LogP ≤ 59.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[8-(2-cyano-6-isocyanophenyl)-9-(4-phenylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile
CID 155645675
2-(5,9-diphenylcarbazol-1-yl)benzene-1,3-dicarbonitrile
CID 155357386
2-(3,6,9-triphenylcarbazol-1-yl)benzene-1,3-dicarbonitrile
CID 155357395
2-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155357564
2-[9-(3-carbazol-9-ylphenyl)-8-(2,6-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 155357604
2-[8-(2-cyano-6-isocyanophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]benzene-1,3-dicarbonitrile
CID 155645615
2-[1-(7,9-diphenylcarbazol-1-yl)carbazol-9-yl]benzonitrile
CID 139351898
2-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]benzene-1,3-dicarbonitrile
CID 122433645
2-[5-(2-cyano-6-isocyanophenyl)-9-(3,5-diphenylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile
CID 155645720
2-[8-(2-cyanophenyl)-9-phenylcarbazol-3-yl]-3-isocyanobenzonitrile
CID 155645760
2-[9-(9,9-dimethylfluoren-2-yl)carbazol-1-yl]benzene-1,3-dicarbonitrile
CID 155357432
2-[5-(2-cyano-6-isocyanophenyl)-9-phenylcarbazol-1-yl]benzene-1,3-dicarbonitrile
CID 155645689

Frequently Asked Questions

What is the IUPAC name of 2-[8-(2,6-dicyanophenyl)-9-(4-phenylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile?
The IUPAC name of 2-[8-(2,6-dicyanophenyl)-9-(4-phenylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile (CID 155357809) is 2-[8-(2,6-dicyanophenyl)-9-(4-phenylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-[8-(2,6-dicyanophenyl)-9-(4-phenylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-[8-(2,6-dicyanophenyl)-9-(4-phenylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile is N#Cc1cccc(C#N)c1-c1cccc2c3cccc(-c4c(C#N)cccc4C#N)c3n(-c3ccc(-c4ccccc4)cc3)c12.
What is the InChIKey of 2-[8-(2,6-dicyanophenyl)-9-(4-phenylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile?
The InChIKey is HKBZLLUZDPCQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H21N5/c41-22-28-10-4-11-29(23-42)37(28)35-16-6-14-33-34-15-7-17-36(38-30(24-43)12-5-13-31(38)25-44)40(34)45(39(33)35)32-20-18-27(19-21-32)26-8-2-1-3-9-26/h1-21H.
What are the key properties of 2-[8-(2,6-dicyanophenyl)-9-(4-phenylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile?
2-[8-(2,6-dicyanophenyl)-9-(4-phenylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile has a molecular weight of 571.64 g/mol, XLogP of 9.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(2,6-dicyanophenyl)-9-(4-phenylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 155357809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).