2-carbazol-9-yl-3-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]benzonitrile

C44H26N4 — CID 155080383

IUPAC2-carbazol-9-yl-3-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]benzonitrile
SMILESN#Cc1cc(-c2ccc(-c3cccc(C#N)c3-n3c4ccccc4c4ccccc43)cc2)ccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C44H26N4/c45-27-32-10-9-15-34(44(32)48-42-18-7-3-13-37(42)38-14-4-8-19-43(38)48)30-22-20-29(21-23-30)31-24-25-39(33(26-31)28-46)47-40-16-5-1-11-35(40)36-12-2-6-17-41(36)47/h1-26H
InChIKeyFSHJXXFMBGRNKD-UHFFFAOYSA-N
MW610.72 g/mol
LogP10.96
Rot. Bonds4

About 2-carbazol-9-yl-3-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]benzonitrile

2-carbazol-9-yl-3-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]benzonitrile (PubChem CID 155080383) has the molecular formula C44H26N4 and a molecular weight of 610.72 g/mol. Its IUPAC name is 2-carbazol-9-yl-3-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2-carbazol-9-yl-3-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]benzonitrile
PubChem CID155080383
Molecular FormulaC44H26N4
Molecular Weight610.72 g/mol
Exact Mass610.22
IUPAC Name2-carbazol-9-yl-3-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]benzonitrile
SMILESN#Cc1cc(-c2ccc(-c3cccc(C#N)c3-n3c4ccccc4c4ccccc43)cc2)ccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C44H26N4/c45-27-32-10-9-15-34(44(32)48-42-18-7-3-13-37(42)38-14-4-8-19-43(38)48)30-22-20-29(21-23-30)31-24-25-39(33(26-31)28-46)47-40-16-5-1-11-35(40)36-12-2-6-17-41(36)47/h1-26H
InChIKeyFSHJXXFMBGRNKD-UHFFFAOYSA-N
XLogP10.96
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.72
LogP ≤ 510.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-carbazol-9-yl-3-[4-(3-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155079640
9-[2-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]carbazole-4-carbonitrile
CID 155080681
2-carbazol-9-yl-3-[3-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]benzonitrile
CID 167336323
2-carbazol-9-yl-5-[3-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile
CID 155603603
9-[4-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 155603929
2-carbazol-9-yl-5-[4-[2-(10-phenylanthracen-9-yl)phenyl]phenyl]benzonitrile
CID 167336282
9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-6-cyanophenyl]carbazole-1-carbonitrile
CID 155079672
3-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-3-cyanophenyl]-2-carbazol-9-ylbenzonitrile
CID 129299824
9-[2-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-6-cyanophenyl]carbazole-4-carbonitrile
CID 154958615
9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-1,6-dicarbonitrile
CID 155081620
2-carbazol-9-yl-3-(4-carbazol-9-ylphenyl)benzonitrile;2-carbazol-9-yl-5-(2-carbazol-9-ylphenyl)benzonitrile;3-carbazol-9-yl-2-(4-carbazol-9-ylphenyl)benzonitrile;3-carbazol-9-yl-4-(4-carbazol-9-ylphenyl)benzonitrile;4-carbazol-9-yl-3-(4-carbazol-9-ylphenyl)benzonitrile
CID 165099700
9-[2-cyano-4-[4-[2-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155081622

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-3-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]benzonitrile?
The IUPAC name of 2-carbazol-9-yl-3-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]benzonitrile (CID 155080383) is 2-carbazol-9-yl-3-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]benzonitrile.
What is the SMILES notation for 2-carbazol-9-yl-3-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]benzonitrile?
The canonical SMILES for 2-carbazol-9-yl-3-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]benzonitrile is N#Cc1cc(-c2ccc(-c3cccc(C#N)c3-n3c4ccccc4c4ccccc43)cc2)ccc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 2-carbazol-9-yl-3-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]benzonitrile?
The InChIKey is FSHJXXFMBGRNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4/c45-27-32-10-9-15-34(44(32)48-42-18-7-3-13-37(42)38-14-4-8-19-43(38)48)30-22-20-29(21-23-30)31-24-25-39(33(26-31)28-46)47-40-16-5-1-11-35(40)36-12-2-6-17-41(36)47/h1-26H.
What are the key properties of 2-carbazol-9-yl-3-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]benzonitrile?
2-carbazol-9-yl-3-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]benzonitrile has a molecular weight of 610.72 g/mol, XLogP of 10.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-3-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]benzonitrile is sourced from PubChem (CID 155080383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).