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

C44H26N4 — CID 155080681

IUPAC9-[2-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]carbazole-4-carbonitrile
SMILESN#Cc1cc(-c2ccc(-c3ccccc3-n3c4ccccc4c4c(C#N)cccc43)cc2)ccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C44H26N4/c45-27-32-10-9-19-43-44(32)37-14-4-8-18-42(37)48(43)39-15-5-1-11-34(39)30-22-20-29(21-23-30)31-24-25-38(33(26-31)28-46)47-40-16-6-2-12-35(40)36-13-3-7-17-41(36)47/h1-26H
InChIKeyDQGNPOMXZAXVJM-UHFFFAOYSA-N
MW610.72 g/mol
LogP10.96
Rot. Bonds4

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

9-[2-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]carbazole-4-carbonitrile (PubChem CID 155080681) has the molecular formula C44H26N4 and a molecular weight of 610.72 g/mol. Its IUPAC name is 9-[2-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]carbazole-4-carbonitrile.

Molecular Properties

Compound Name9-[2-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]carbazole-4-carbonitrile
PubChem CID155080681
Molecular FormulaC44H26N4
Molecular Weight610.72 g/mol
Exact Mass610.22
IUPAC Name9-[2-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]carbazole-4-carbonitrile
SMILESN#Cc1cc(-c2ccc(-c3ccccc3-n3c4ccccc4c4c(C#N)cccc43)cc2)ccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C44H26N4/c45-27-32-10-9-19-43-44(32)37-14-4-8-18-42(37)48(43)39-15-5-1-11-34(39)30-22-20-29(21-23-30)31-24-25-38(33(26-31)28-46)47-40-16-6-2-12-35(40)36-13-3-7-17-41(36)47/h1-26H
InChIKeyDQGNPOMXZAXVJM-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-cyano-4-[4-[2-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155081622
9-[4-[4-(1-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 147442900
2-carbazol-9-yl-3-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]benzonitrile
CID 155080383
9-[2-[2-(4-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 155079506
9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-1,6-dicarbonitrile
CID 155081620
9-[4-[2-cyano-4-[2-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155080180
9-[2-[3-cyano-4-[4-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155080172
9-[2-[2-cyano-5-[4-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155080052
9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2,6-dicarbonitrile
CID 155081617
9-[2-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-6-cyanophenyl]carbazole-4-carbonitrile
CID 154958615
9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-4-carbonitrile
CID 155081294
9-[4-[3-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 155080575

Frequently Asked Questions

What is the IUPAC name of 9-[2-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]carbazole-4-carbonitrile?
The IUPAC name of 9-[2-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]carbazole-4-carbonitrile (CID 155080681) is 9-[2-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]carbazole-4-carbonitrile.
What is the SMILES notation for 9-[2-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]carbazole-4-carbonitrile?
The canonical SMILES for 9-[2-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]carbazole-4-carbonitrile is N#Cc1cc(-c2ccc(-c3ccccc3-n3c4ccccc4c4c(C#N)cccc43)cc2)ccc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[2-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]carbazole-4-carbonitrile?
The InChIKey is DQGNPOMXZAXVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4/c45-27-32-10-9-19-43-44(32)37-14-4-8-18-42(37)48(43)39-15-5-1-11-34(39)30-22-20-29(21-23-30)31-24-25-38(33(26-31)28-46)47-40-16-6-2-12-35(40)36-13-3-7-17-41(36)47/h1-26H.
What are the key properties of 9-[2-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]carbazole-4-carbonitrile?
9-[2-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]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-[2-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]carbazole-4-carbonitrile is sourced from PubChem (CID 155080681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).