9-[2-[2-(4-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-4-carbonitrile

C44H26N4 — CID 155079506

IUPAC9-[2-[2-(4-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-4-carbonitrile
SMILESN#Cc1cccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1-c1ccccc1-n1c2ccccc2c2c(C#N)cccc21
InChIInChI=1S/C44H26N4/c45-27-30-11-9-17-33(29-23-25-32(26-24-29)47-38-18-5-1-13-34(38)35-14-2-6-19-39(35)47)43(30)36-15-3-7-20-40(36)48-41-21-8-4-16-37(41)44-31(28-46)12-10-22-42(44)48/h1-26H
InChIKeyLXQFUXOJLWPCIO-UHFFFAOYSA-N
MW610.72 g/mol
LogP10.96
Rot. Bonds4

About 9-[2-[2-(4-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-4-carbonitrile

9-[2-[2-(4-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-4-carbonitrile (PubChem CID 155079506) has the molecular formula C44H26N4 and a molecular weight of 610.72 g/mol. Its IUPAC name is 9-[2-[2-(4-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-4-carbonitrile.

Molecular Properties

Compound Name9-[2-[2-(4-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-4-carbonitrile
PubChem CID155079506
Molecular FormulaC44H26N4
Molecular Weight610.72 g/mol
Exact Mass610.22
IUPAC Name9-[2-[2-(4-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-4-carbonitrile
SMILESN#Cc1cccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1-c1ccccc1-n1c2ccccc2c2c(C#N)cccc21
InChIInChI=1S/C44H26N4/c45-27-30-11-9-17-33(29-23-25-32(26-24-29)47-38-18-5-1-13-34(38)35-14-2-6-19-39(35)47)43(30)36-15-3-7-20-40(36)48-41-21-8-4-16-37(41)44-31(28-46)12-10-22-42(44)48/h1-26H
InChIKeyLXQFUXOJLWPCIO-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-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-6-cyanophenyl]carbazole-4-carbonitrile
CID 154958615
9-[2-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]carbazole-4-carbonitrile
CID 155080681
9-[4-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 154958854
9-[4-[2-(2-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-3,5-dicarbonitrile
CID 155080017
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
9-[2-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-4-carbonitrile
CID 154958609
4-(2-carbazol-9-ylphenyl)-5-(4-carbazol-9-ylphenyl)benzene-1,3-dicarbonitrile
CID 155080495
9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-4-carbonitrile
CID 155081294
9-[2-[2-cyano-5-[4-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155080052
2-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]benzene-1,3-dicarbonitrile
CID 122433645
9-[2-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 154958336

Frequently Asked Questions

What is the IUPAC name of 9-[2-[2-(4-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-4-carbonitrile?
The IUPAC name of 9-[2-[2-(4-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-4-carbonitrile (CID 155079506) is 9-[2-[2-(4-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-4-carbonitrile.
What is the SMILES notation for 9-[2-[2-(4-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-4-carbonitrile?
The canonical SMILES for 9-[2-[2-(4-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-4-carbonitrile is N#Cc1cccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1-c1ccccc1-n1c2ccccc2c2c(C#N)cccc21.
What is the InChIKey of 9-[2-[2-(4-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-4-carbonitrile?
The InChIKey is LXQFUXOJLWPCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4/c45-27-30-11-9-17-33(29-23-25-32(26-24-29)47-38-18-5-1-13-34(38)35-14-2-6-19-39(35)47)43(30)36-15-3-7-20-40(36)48-41-21-8-4-16-37(41)44-31(28-46)12-10-22-42(44)48/h1-26H.
What are the key properties of 9-[2-[2-(4-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-4-carbonitrile?
9-[2-[2-(4-carbazol-9-ylphenyl)-6-cyanophenyl]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-[2-(4-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-4-carbonitrile is sourced from PubChem (CID 155079506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).