4,5-bis[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile

C50H28N6 — CID 134292618

IUPAC4,5-bis[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
SMILESN#Cc1ccccc1-c1ccc2c3ccccc3n(-c3cc(C#N)c(-c4ccncc4)cc3-n3c4ccccc4c4ccc(-c5ccccc5C#N)cc43)c2c1
InChIInChI=1S/C50H28N6/c51-29-35-9-1-3-11-38(35)33-17-19-42-40-13-5-7-15-45(40)55(47(42)25-33)49-27-37(31-53)44(32-21-23-54-24-22-32)28-50(49)56-46-16-8-6-14-41(46)43-20-18-34(26-48(43)56)39-12-4-2-10-36(39)30-52/h1-28H
InChIKeyUZQJIWRTSZDYFJ-UHFFFAOYSA-N
MW712.82 g/mol
LogP11.89
Rot. Bonds5

About 4,5-bis[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile

4,5-bis[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile (PubChem CID 134292618) has the molecular formula C50H28N6 and a molecular weight of 712.82 g/mol. Its IUPAC name is 4,5-bis[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile.

Molecular Properties

Compound Name4,5-bis[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
PubChem CID134292618
Molecular FormulaC50H28N6
Molecular Weight712.82 g/mol
Exact Mass712.24
IUPAC Name4,5-bis[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
SMILESN#Cc1ccccc1-c1ccc2c3ccccc3n(-c3cc(C#N)c(-c4ccncc4)cc3-n3c4ccccc4c4ccc(-c5ccccc5C#N)cc43)c2c1
InChIInChI=1S/C50H28N6/c51-29-35-9-1-3-11-38(35)33-17-19-42-40-13-5-7-15-45(40)55(47(42)25-33)49-27-37(31-53)44(32-21-23-54-24-22-32)28-50(49)56-46-16-8-6-14-41(46)43-20-18-34(26-48(43)56)39-12-4-2-10-36(39)30-52/h1-28H
InChIKeyUZQJIWRTSZDYFJ-UHFFFAOYSA-N
XLogP11.89
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.82
LogP ≤ 511.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-4-[2-(2-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 138565570
5-[2-(2-methylphenyl)carbazol-9-yl]-4-phenyl-2-pyridin-4-ylbenzonitrile
CID 138566479
4,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile
CID 134302144
4,5-bis(3-carbazol-9-ylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile
CID 134292574
4,5-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile;9-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-isocyano-5-pyridin-4-ylphenyl]-3,6-bis(2-methylphenyl)carbazole;9-[4-isocyano-2-[3-(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]-3-(2-methylphenyl)carbazole
CID 157242392
4,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 134302157
3,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134302096
4,5-bis[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 146617377
5-[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-phenyl-2-pyridin-4-ylbenzonitrile
CID 138566451
4-[1-(2-cyanophenyl)carbazol-9-yl]-5-phenyl-2-pyridin-4-ylbenzonitrile
CID 138565530
2-(3-cyanophenyl)-4,5-bis[3-(2-cyanophenyl)carbazol-9-yl]benzonitrile
CID 155377782
4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 134296295

Frequently Asked Questions

What is the IUPAC name of 4,5-bis[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile?
The IUPAC name of 4,5-bis[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile (CID 134292618) is 4,5-bis[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile.
What is the SMILES notation for 4,5-bis[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile?
The canonical SMILES for 4,5-bis[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile is N#Cc1ccccc1-c1ccc2c3ccccc3n(-c3cc(C#N)c(-c4ccncc4)cc3-n3c4ccccc4c4ccc(-c5ccccc5C#N)cc43)c2c1.
What is the InChIKey of 4,5-bis[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile?
The InChIKey is UZQJIWRTSZDYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28N6/c51-29-35-9-1-3-11-38(35)33-17-19-42-40-13-5-7-15-45(40)55(47(42)25-33)49-27-37(31-53)44(32-21-23-54-24-22-32)28-50(49)56-46-16-8-6-14-41(46)43-20-18-34(26-48(43)56)39-12-4-2-10-36(39)30-52/h1-28H.
What are the key properties of 4,5-bis[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile?
4,5-bis[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile has a molecular weight of 712.82 g/mol, XLogP of 11.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile is sourced from PubChem (CID 134292618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).