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

C44H26N4 — CID 155079568

IUPAC3-carbazol-9-yl-2-[4-(4-carbazol-9-yl-2-cyanophenyl)phenyl]benzonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1ccc(-c2c(C#N)cccc2-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C44H26N4/c45-27-31-10-9-19-43(48-41-17-7-3-13-37(41)38-14-4-8-18-42(38)48)44(31)30-22-20-29(21-23-30)34-25-24-33(26-32(34)28-46)47-39-15-5-1-11-35(39)36-12-2-6-16-40(36)47/h1-26H
InChIKeyYGDIQJNDLCOKMY-UHFFFAOYSA-N
MW610.72 g/mol
LogP10.96
Rot. Bonds4

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

3-carbazol-9-yl-2-[4-(4-carbazol-9-yl-2-cyanophenyl)phenyl]benzonitrile (PubChem CID 155079568) has the molecular formula C44H26N4 and a molecular weight of 610.72 g/mol. Its IUPAC name is 3-carbazol-9-yl-2-[4-(4-carbazol-9-yl-2-cyanophenyl)phenyl]benzonitrile.

Molecular Properties

Compound Name3-carbazol-9-yl-2-[4-(4-carbazol-9-yl-2-cyanophenyl)phenyl]benzonitrile
PubChem CID155079568
Molecular FormulaC44H26N4
Molecular Weight610.72 g/mol
Exact Mass610.22
IUPAC Name3-carbazol-9-yl-2-[4-(4-carbazol-9-yl-2-cyanophenyl)phenyl]benzonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1ccc(-c2c(C#N)cccc2-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C44H26N4/c45-27-31-10-9-19-43(48-41-17-7-3-13-37(41)38-14-4-8-18-42(38)48)44(31)30-22-20-29(21-23-30)34-25-24-33(26-32(34)28-46)47-39-15-5-1-11-35(39)36-12-2-6-16-40(36)47/h1-26H
InChIKeyYGDIQJNDLCOKMY-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

5-carbazol-9-yl-2-[4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155080617
9-[4-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 154958854
9-[2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 149260154
9-[4-[4-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 154958815
9-[4-[4-(2-carbazol-9-yl-6-cyanophenyl)phenyl]phenyl]carbazole-2-carbonitrile
CID 155081355
5-(2-carbazol-9-ylphenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile
CID 155079678
3-carbazol-9-yl-2-[4-(3-carbazol-9-yl-5-cyanophenyl)phenyl]benzonitrile
CID 155079904
9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1-carbonitrile
CID 155080592
9-[4-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-2-carbonitrile
CID 154958170
3-carbazol-9-yl-2-[2-(3-carbazol-9-yl-4-cyanophenyl)phenyl]benzonitrile
CID 155080460
9-[4-(2-carbazol-9-yl-5-cyanophenyl)phenyl]carbazole-3-carbonitrile;9-[4-(2-carbazol-9-yl-6-cyanophenyl)phenyl]carbazole-3-carbonitrile;9-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]carbazole-3-carbonitrile;9-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]carbazole-3-carbonitrile;9-[2-cyano-4-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;9-[3-cyano-4-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;9-[4-[2-cyano-6-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;9-[4-[3-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;9-[4-[4-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;9-[4-[5-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 159914512
9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-4-carbonitrile
CID 155081294

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-2-[4-(4-carbazol-9-yl-2-cyanophenyl)phenyl]benzonitrile?
The IUPAC name of 3-carbazol-9-yl-2-[4-(4-carbazol-9-yl-2-cyanophenyl)phenyl]benzonitrile (CID 155079568) is 3-carbazol-9-yl-2-[4-(4-carbazol-9-yl-2-cyanophenyl)phenyl]benzonitrile.
What is the SMILES notation for 3-carbazol-9-yl-2-[4-(4-carbazol-9-yl-2-cyanophenyl)phenyl]benzonitrile?
The canonical SMILES for 3-carbazol-9-yl-2-[4-(4-carbazol-9-yl-2-cyanophenyl)phenyl]benzonitrile is N#Cc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1ccc(-c2c(C#N)cccc2-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 3-carbazol-9-yl-2-[4-(4-carbazol-9-yl-2-cyanophenyl)phenyl]benzonitrile?
The InChIKey is YGDIQJNDLCOKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4/c45-27-31-10-9-19-43(48-41-17-7-3-13-37(41)38-14-4-8-18-42(38)48)44(31)30-22-20-29(21-23-30)34-25-24-33(26-32(34)28-46)47-39-15-5-1-11-35(39)36-12-2-6-16-40(36)47/h1-26H.
What are the key properties of 3-carbazol-9-yl-2-[4-(4-carbazol-9-yl-2-cyanophenyl)phenyl]benzonitrile?
3-carbazol-9-yl-2-[4-(4-carbazol-9-yl-2-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 3-carbazol-9-yl-2-[4-(4-carbazol-9-yl-2-cyanophenyl)phenyl]benzonitrile is sourced from PubChem (CID 155079568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).