2-carbazol-9-yl-6-[3-(2-carbazol-9-yl-4-cyanophenyl)phenyl]benzonitrile

C44H26N4 — CID 155079829

IUPAC2-carbazol-9-yl-6-[3-(2-carbazol-9-yl-4-cyanophenyl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3C#N)c2)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C44H26N4/c45-27-29-23-24-33(44(25-29)48-41-20-7-3-15-36(41)37-16-4-8-21-42(37)48)31-12-9-11-30(26-31)32-17-10-22-43(38(32)28-46)47-39-18-5-1-13-34(39)35-14-2-6-19-40(35)47/h1-26H
InChIKeyMVMCFGWWPZNVHN-UHFFFAOYSA-N
MW610.72 g/mol
LogP10.96
Rot. Bonds4

About 2-carbazol-9-yl-6-[3-(2-carbazol-9-yl-4-cyanophenyl)phenyl]benzonitrile

2-carbazol-9-yl-6-[3-(2-carbazol-9-yl-4-cyanophenyl)phenyl]benzonitrile (PubChem CID 155079829) has the molecular formula C44H26N4 and a molecular weight of 610.72 g/mol. Its IUPAC name is 2-carbazol-9-yl-6-[3-(2-carbazol-9-yl-4-cyanophenyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2-carbazol-9-yl-6-[3-(2-carbazol-9-yl-4-cyanophenyl)phenyl]benzonitrile
PubChem CID155079829
Molecular FormulaC44H26N4
Molecular Weight610.72 g/mol
Exact Mass610.22
IUPAC Name2-carbazol-9-yl-6-[3-(2-carbazol-9-yl-4-cyanophenyl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3C#N)c2)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C44H26N4/c45-27-29-23-24-33(44(25-29)48-41-20-7-3-15-36(41)37-16-4-8-21-42(37)48)31-12-9-11-30(26-31)32-17-10-22-43(38(32)28-46)47-39-18-5-1-13-34(39)35-14-2-6-19-40(35)47/h1-26H
InChIKeyMVMCFGWWPZNVHN-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-[3-[3-(2-carbazol-9-yl-4-cyanophenyl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 167280274
3-carbazol-9-yl-4-[3-(4-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155081292
2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)benzonitrile
CID 138653750
9-[3-[3-(2-carbazol-9-yl-6-cyanophenyl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 155604722
4-[3-(2-carbazol-9-ylphenyl)phenyl]-2-(3-cyanocarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 155604429
9-[2-cyano-3-[3-[2-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155086420
9-[5-cyano-2-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 167336467
3-carbazol-9-yl-6-[4-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,2-dicarbonitrile
CID 155081593
9-[4-[3-(2-carbazol-9-yl-4-cyanophenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155080699
9-[2-[4-(3-carbazol-9-yl-2-cyanophenyl)-3-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155080288
9-[2-[3-[2-cyano-3-(1-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155604030
9-[2-[3-(3-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]carbazole-3-carbonitrile
CID 155080542

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-6-[3-(2-carbazol-9-yl-4-cyanophenyl)phenyl]benzonitrile?
The IUPAC name of 2-carbazol-9-yl-6-[3-(2-carbazol-9-yl-4-cyanophenyl)phenyl]benzonitrile (CID 155079829) is 2-carbazol-9-yl-6-[3-(2-carbazol-9-yl-4-cyanophenyl)phenyl]benzonitrile.
What is the SMILES notation for 2-carbazol-9-yl-6-[3-(2-carbazol-9-yl-4-cyanophenyl)phenyl]benzonitrile?
The canonical SMILES for 2-carbazol-9-yl-6-[3-(2-carbazol-9-yl-4-cyanophenyl)phenyl]benzonitrile is N#Cc1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3C#N)c2)c(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 2-carbazol-9-yl-6-[3-(2-carbazol-9-yl-4-cyanophenyl)phenyl]benzonitrile?
The InChIKey is MVMCFGWWPZNVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4/c45-27-29-23-24-33(44(25-29)48-41-20-7-3-15-36(41)37-16-4-8-21-42(37)48)31-12-9-11-30(26-31)32-17-10-22-43(38(32)28-46)47-39-18-5-1-13-34(39)35-14-2-6-19-40(35)47/h1-26H.
What are the key properties of 2-carbazol-9-yl-6-[3-(2-carbazol-9-yl-4-cyanophenyl)phenyl]benzonitrile?
2-carbazol-9-yl-6-[3-(2-carbazol-9-yl-4-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 2-carbazol-9-yl-6-[3-(2-carbazol-9-yl-4-cyanophenyl)phenyl]benzonitrile is sourced from PubChem (CID 155079829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).