2-[2,3-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile

C38H22N4 — CID 129303673

IUPAC2-[2,3-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-c1cccc(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C38H22N4/c39-23-25-11-9-12-26(24-40)37(25)31-17-10-22-36(41-32-18-5-1-13-27(32)28-14-2-6-19-33(28)41)38(31)42-34-20-7-3-15-29(34)30-16-4-8-21-35(30)42/h1-22H
InChIKeyXETRLNOCEIPGCT-UHFFFAOYSA-N
MW534.62 g/mol
LogP9.29
Rot. Bonds3

About 2-[2,3-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile

2-[2,3-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile (PubChem CID 129303673) has the molecular formula C38H22N4 and a molecular weight of 534.62 g/mol. Its IUPAC name is 2-[2,3-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-[2,3-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
PubChem CID129303673
Molecular FormulaC38H22N4
Molecular Weight534.62 g/mol
Exact Mass534.18
IUPAC Name2-[2,3-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-c1cccc(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C38H22N4/c39-23-25-11-9-12-26(24-40)37(25)31-17-10-22-36(41-32-18-5-1-13-27(32)28-14-2-6-19-33(28)41)38(31)42-34-20-7-3-15-29(34)30-16-4-8-21-35(30)42/h1-22H
InChIKeyXETRLNOCEIPGCT-UHFFFAOYSA-N
XLogP9.29
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.62
LogP ≤ 59.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-carbazol-9-yl-2-[2-(3-carbazol-9-yl-4-cyanophenyl)phenyl]benzonitrile
CID 155080460
2-carbazol-9-yl-3-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]benzonitrile
CID 155080383
2-[3,4-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
CID 129303675
9-[2-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-1-carbonitrile
CID 148897475
9-[2-[2-(4-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 155079506
3-carbazol-9-yl-2-(4-triphenylsilylphenyl)benzonitrile
CID 153318562
9-[2-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-6-cyanophenyl]carbazole-4-carbonitrile
CID 154958615
2-(3-carbazol-9-yl-2-cyanophenyl)-3-triphenylsilylbenzonitrile
CID 147265434
3-carbazol-9-yl-2-[4-(4-carbazol-9-yl-2-cyanophenyl)phenyl]benzonitrile
CID 155079568
3-(2-carbazol-9-ylphenyl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile
CID 129291094
2-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]benzene-1,3-dicarbonitrile
CID 122433645
2-carbazol-9-yl-3-(4-carbazol-9-yl-3-pyridinyl)benzonitrile
CID 139523629

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile?
The IUPAC name of 2-[2,3-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile (CID 129303673) is 2-[2,3-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-[2,3-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-[2,3-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile is N#Cc1cccc(C#N)c1-c1cccc(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 2-[2,3-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile?
The InChIKey is XETRLNOCEIPGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4/c39-23-25-11-9-12-26(24-40)37(25)31-17-10-22-36(41-32-18-5-1-13-27(32)28-14-2-6-19-33(28)41)38(31)42-34-20-7-3-15-29(34)30-16-4-8-21-35(30)42/h1-22H.
What are the key properties of 2-[2,3-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile?
2-[2,3-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile has a molecular weight of 534.62 g/mol, XLogP of 9.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 129303673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).