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

C50H28N6 — CID 142495063

IUPAC3-[3-(2-cyanophenyl)carbazol-9-yl]-2-[3-[3-(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1cccnc1-c1c(C#N)cccc1-n1c2ccccc2c2cc(-c3ccccc3C#N)ccc21
InChIInChI=1S/C50H28N6/c51-29-34-11-1-3-14-37(34)32-22-24-45-41(27-32)39-16-5-7-18-43(39)55(45)47-20-9-13-36(31-53)49(47)50-48(21-10-26-54-50)56-44-19-8-6-17-40(44)42-28-33(23-25-46(42)56)38-15-4-2-12-35(38)30-52/h1-28H
InChIKeyATKKHCVVJOQCFR-UHFFFAOYSA-N
MW712.82 g/mol
LogP11.89
Rot. Bonds5

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

3-[3-(2-cyanophenyl)carbazol-9-yl]-2-[3-[3-(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile (PubChem CID 142495063) has the molecular formula C50H28N6 and a molecular weight of 712.82 g/mol. Its IUPAC name is 3-[3-(2-cyanophenyl)carbazol-9-yl]-2-[3-[3-(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile.

Molecular Properties

Compound Name3-[3-(2-cyanophenyl)carbazol-9-yl]-2-[3-[3-(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile
PubChem CID142495063
Molecular FormulaC50H28N6
Molecular Weight712.82 g/mol
Exact Mass712.24
IUPAC Name3-[3-(2-cyanophenyl)carbazol-9-yl]-2-[3-[3-(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1cccnc1-c1c(C#N)cccc1-n1c2ccccc2c2cc(-c3ccccc3C#N)ccc21
InChIInChI=1S/C50H28N6/c51-29-34-11-1-3-14-37(34)32-22-24-45-41(27-32)39-16-5-7-18-43(39)55(45)47-20-9-13-36(31-53)49(47)50-48(21-10-26-54-50)56-44-19-8-6-17-40(44)42-28-33(23-25-46(42)56)38-15-4-2-12-35(38)30-52/h1-28H
InChIKeyATKKHCVVJOQCFR-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

3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-2-[3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile
CID 153455511
2-[3-[3-(4-cyanophenyl)carbazol-9-yl]-2-pyridinyl]-3-[3-(4-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 153455468
3-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-2-[3-[3-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile
CID 153455433
3-[9-[4-[5-[3-cyano-2-[3-(7-phenylindolo[2,3-b]carbazol-5-yl)-2-pyridinyl]phenyl]indolo[2,3-b]carbazol-7-yl]phenyl]-12-phenylindolo[3,2-c]carbazol-5-yl]-2-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)-2-pyridinyl]benzonitrile
CID 146409640
3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile
CID 142495144
2-[9-[2-[2-[3-(2-cyanophenyl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridin-3-ylphenyl]carbazol-3-yl]benzonitrile
CID 163638395
2-carbazol-9-yl-3-(3-carbazol-9-yl-2-pyridinyl)benzonitrile;3-carbazol-9-yl-2-(3-carbazol-9-yl-2-pyridinyl)benzonitrile;3-carbazol-9-yl-4-(3-carbazol-9-yl-2-pyridinyl)benzonitrile;4-carbazol-9-yl-3-(3-carbazol-9-yl-2-pyridinyl)benzonitrile
CID 159458110
4-[9-[2-[2-cyano-6-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]phenyl]-3-pyridinyl]-6-(4-cyano-2-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 153455460
2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[3-(2-isocyanophenyl)carbazol-9-yl]-2-pyridinyl]phenyl]carbazol-3-yl]benzonitrile
CID 156679481
4-(2,3,4,5,6-pentafluorophenyl)-2,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile
CID 154959931
3-carbazol-9-yl-2-[2-(3-carbazol-9-yl-4-cyanophenyl)phenyl]benzonitrile
CID 155080460
2-(3-carbazol-9-ylphenyl)-3-pyrido[2,3-b]indol-9-ylbenzonitrile
CID 167507297

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-cyanophenyl)carbazol-9-yl]-2-[3-[3-(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile?
The IUPAC name of 3-[3-(2-cyanophenyl)carbazol-9-yl]-2-[3-[3-(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile (CID 142495063) is 3-[3-(2-cyanophenyl)carbazol-9-yl]-2-[3-[3-(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile.
What is the SMILES notation for 3-[3-(2-cyanophenyl)carbazol-9-yl]-2-[3-[3-(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile?
The canonical SMILES for 3-[3-(2-cyanophenyl)carbazol-9-yl]-2-[3-[3-(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile is N#Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1cccnc1-c1c(C#N)cccc1-n1c2ccccc2c2cc(-c3ccccc3C#N)ccc21.
What is the InChIKey of 3-[3-(2-cyanophenyl)carbazol-9-yl]-2-[3-[3-(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile?
The InChIKey is ATKKHCVVJOQCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28N6/c51-29-34-11-1-3-14-37(34)32-22-24-45-41(27-32)39-16-5-7-18-43(39)55(45)47-20-9-13-36(31-53)49(47)50-48(21-10-26-54-50)56-44-19-8-6-17-40(44)42-28-33(23-25-46(42)56)38-15-4-2-12-35(38)30-52/h1-28H.
What are the key properties of 3-[3-(2-cyanophenyl)carbazol-9-yl]-2-[3-[3-(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile?
3-[3-(2-cyanophenyl)carbazol-9-yl]-2-[3-[3-(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile 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 3-[3-(2-cyanophenyl)carbazol-9-yl]-2-[3-[3-(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile is sourced from PubChem (CID 142495063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).