9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-4-carbonitrile

C44H26N4 — CID 155081294

IUPAC9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-4-carbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3c(C#N)cccc32)ccc1-c1ccccc1-c1ccccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C44H26N4/c45-27-29-12-11-23-43-44(29)38-18-6-10-22-42(38)47(43)31-24-25-32(30(26-31)28-46)33-13-1-2-14-34(33)35-15-3-7-19-39(35)48-40-20-8-4-16-36(40)37-17-5-9-21-41(37)48/h1-26H
InChIKeyDZXDVSNDOLBHOU-UHFFFAOYSA-N
MW610.72 g/mol
LogP10.96
Rot. Bonds4

About 9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-4-carbonitrile

9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-4-carbonitrile (PubChem CID 155081294) has the molecular formula C44H26N4 and a molecular weight of 610.72 g/mol. Its IUPAC name is 9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-4-carbonitrile.

Molecular Properties

Compound Name9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-4-carbonitrile
PubChem CID155081294
Molecular FormulaC44H26N4
Molecular Weight610.72 g/mol
Exact Mass610.22
IUPAC Name9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-4-carbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3c(C#N)cccc32)ccc1-c1ccccc1-c1ccccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C44H26N4/c45-27-29-12-11-23-43-44(29)38-18-6-10-22-42(38)47(43)31-24-25-32(30(26-31)28-46)33-13-1-2-14-34(33)35-15-3-7-19-39(35)48-40-20-8-4-16-36(40)37-17-5-9-21-41(37)48/h1-26H
InChIKeyDZXDVSNDOLBHOU-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

9-[2-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 154958336
4-(4-carbazol-9-yl-2-cyanophenyl)-3-(2-carbazol-9-ylphenyl)benzonitrile
CID 155079511
5-carbazol-9-yl-2-[4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155080617
9-[3-[3-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 155080518
9-[3-[5-cyano-2-[2-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155081657
9-[3-cyano-4-[2-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155080021
9-[2-[2-(4-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 155079506
9-[2-[3-cyano-4-[4-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155080172
9-[4-[2-cyano-4-[2-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155080180
5-(5-carbazol-9-yl-2-cyanophenyl)-2-(2-carbazol-9-ylphenyl)benzonitrile
CID 155080790
9-[2-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]carbazole-4-carbonitrile
CID 155080681
9-[4-[4-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 154958815

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-4-carbonitrile?
The IUPAC name of 9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-4-carbonitrile (CID 155081294) is 9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-4-carbonitrile.
What is the SMILES notation for 9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-4-carbonitrile?
The canonical SMILES for 9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-4-carbonitrile is N#Cc1cc(-n2c3ccccc3c3c(C#N)cccc32)ccc1-c1ccccc1-c1ccccc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-4-carbonitrile?
The InChIKey is DZXDVSNDOLBHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4/c45-27-29-12-11-23-43-44(29)38-18-6-10-22-42(38)47(43)31-24-25-32(30(26-31)28-46)33-13-1-2-14-34(33)35-15-3-7-19-39(35)48-40-20-8-4-16-36(40)37-17-5-9-21-41(37)48/h1-26H.
What are the key properties of 9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-4-carbonitrile?
9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-4-carbonitrile 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 9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-4-carbonitrile is sourced from PubChem (CID 155081294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).