2-(2-carbazol-9-yl-5-cyanophenyl)-6-(4-carbazol-9-ylphenyl)benzonitrile

C44H26N4 — CID 155080419

IUPAC2-(2-carbazol-9-yl-5-cyanophenyl)-6-(4-carbazol-9-ylphenyl)benzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3ccccc32)c(-c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2C#N)c1
InChIInChI=1S/C44H26N4/c45-27-29-20-25-44(48-42-18-7-3-12-36(42)37-13-4-8-19-43(37)48)38(26-29)33-15-9-14-32(39(33)28-46)30-21-23-31(24-22-30)47-40-16-5-1-10-34(40)35-11-2-6-17-41(35)47/h1-26H
InChIKeyZWBXAMXKTNMJBE-UHFFFAOYSA-N
MW610.72 g/mol
LogP10.96
Rot. Bonds4

About 2-(2-carbazol-9-yl-5-cyanophenyl)-6-(4-carbazol-9-ylphenyl)benzonitrile

2-(2-carbazol-9-yl-5-cyanophenyl)-6-(4-carbazol-9-ylphenyl)benzonitrile (PubChem CID 155080419) has the molecular formula C44H26N4 and a molecular weight of 610.72 g/mol. Its IUPAC name is 2-(2-carbazol-9-yl-5-cyanophenyl)-6-(4-carbazol-9-ylphenyl)benzonitrile.

Molecular Properties

Compound Name2-(2-carbazol-9-yl-5-cyanophenyl)-6-(4-carbazol-9-ylphenyl)benzonitrile
PubChem CID155080419
Molecular FormulaC44H26N4
Molecular Weight610.72 g/mol
Exact Mass610.22
IUPAC Name2-(2-carbazol-9-yl-5-cyanophenyl)-6-(4-carbazol-9-ylphenyl)benzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3ccccc32)c(-c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2C#N)c1
InChIInChI=1S/C44H26N4/c45-27-29-20-25-44(48-42-18-7-3-12-36(42)37-13-4-8-19-43(37)48)38(26-29)33-15-9-14-32(39(33)28-46)30-21-23-31(24-22-30)47-40-16-5-1-10-34(40)35-11-2-6-17-41(35)47/h1-26H
InChIKeyZWBXAMXKTNMJBE-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-[4-[3-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155079498
9-[4-[3-(2-carbazol-9-yl-4-cyanophenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155080699
9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 155079786
9-[2-[3-(3-carbazol-9-ylphenyl)-2-cyanophenyl]-4-cyanophenyl]carbazole-3-carbonitrile
CID 155080249
3-carbazol-9-yl-9-[4-(2-carbazol-9-yl-5-cyanophenyl)phenyl]carbazole-2-carbonitrile
CID 154958579
9-[4-[2-cyano-3-[2-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155603746
9-[4-[4-[5-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155081041
9-[4-[2-(2-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 147841230
3-carbazol-9-yl-6-[4-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,2-dicarbonitrile
CID 155081593
9-[9-[4-(2-carbazol-9-yl-5-cyanophenyl)phenyl]carbazol-4-yl]carbazole-3-carbonitrile
CID 147828212
4-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-3-[2-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzonitrile
CID 164743889
9-[3-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 154958508

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbazol-9-yl-5-cyanophenyl)-6-(4-carbazol-9-ylphenyl)benzonitrile?
The IUPAC name of 2-(2-carbazol-9-yl-5-cyanophenyl)-6-(4-carbazol-9-ylphenyl)benzonitrile (CID 155080419) is 2-(2-carbazol-9-yl-5-cyanophenyl)-6-(4-carbazol-9-ylphenyl)benzonitrile.
What is the SMILES notation for 2-(2-carbazol-9-yl-5-cyanophenyl)-6-(4-carbazol-9-ylphenyl)benzonitrile?
The canonical SMILES for 2-(2-carbazol-9-yl-5-cyanophenyl)-6-(4-carbazol-9-ylphenyl)benzonitrile is N#Cc1ccc(-n2c3ccccc3c3ccccc32)c(-c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2C#N)c1.
What is the InChIKey of 2-(2-carbazol-9-yl-5-cyanophenyl)-6-(4-carbazol-9-ylphenyl)benzonitrile?
The InChIKey is ZWBXAMXKTNMJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4/c45-27-29-20-25-44(48-42-18-7-3-12-36(42)37-13-4-8-19-43(37)48)38(26-29)33-15-9-14-32(39(33)28-46)30-21-23-31(24-22-30)47-40-16-5-1-10-34(40)35-11-2-6-17-41(35)47/h1-26H.
What are the key properties of 2-(2-carbazol-9-yl-5-cyanophenyl)-6-(4-carbazol-9-ylphenyl)benzonitrile?
2-(2-carbazol-9-yl-5-cyanophenyl)-6-(4-carbazol-9-ylphenyl)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-(2-carbazol-9-yl-5-cyanophenyl)-6-(4-carbazol-9-ylphenyl)benzonitrile is sourced from PubChem (CID 155080419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).