9-[6-carbazol-9-yl-4-[2-(4-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile

C44H24N6 — CID 121312324

IUPAC9-[6-carbazol-9-yl-4-[2-(4-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile
SMILESN#Cc1ccc(-c2ccccc2-c2cc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccc(C#N)cc4c4cc(C#N)ccc43)c2)cc1
InChIInChI=1S/C44H24N6/c45-25-28-13-17-31(18-14-28)33-7-1-2-8-34(33)32-23-43(49-39-11-5-3-9-35(39)36-10-4-6-12-40(36)49)48-44(24-32)50-41-19-15-29(26-46)21-37(41)38-22-30(27-47)16-20-42(38)50/h1-24H
InChIKeyZOEXNBOJPHJEQL-UHFFFAOYSA-N
MW636.72 g/mol
LogP10.22
Rot. Bonds4

About 9-[6-carbazol-9-yl-4-[2-(4-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile

9-[6-carbazol-9-yl-4-[2-(4-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile (PubChem CID 121312324) has the molecular formula C44H24N6 and a molecular weight of 636.72 g/mol. Its IUPAC name is 9-[6-carbazol-9-yl-4-[2-(4-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile.

Molecular Properties

Compound Name9-[6-carbazol-9-yl-4-[2-(4-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile
PubChem CID121312324
Molecular FormulaC44H24N6
Molecular Weight636.72 g/mol
Exact Mass636.21
IUPAC Name9-[6-carbazol-9-yl-4-[2-(4-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile
SMILESN#Cc1ccc(-c2ccccc2-c2cc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccc(C#N)cc4c4cc(C#N)ccc43)c2)cc1
InChIInChI=1S/C44H24N6/c45-25-28-13-17-31(18-14-28)33-7-1-2-8-34(33)32-23-43(49-39-11-5-3-9-35(39)36-10-4-6-12-40(36)49)48-44(24-32)50-41-19-15-29(26-46)21-37(41)38-22-30(27-47)16-20-42(38)50/h1-24H
InChIKeyZOEXNBOJPHJEQL-UHFFFAOYSA-N
XLogP10.22
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.72
LogP ≤ 510.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[4-[2-[2-(4-cyanophenyl)phenyl]phenyl]-6-pyrido[2,3-b]indol-9-yl-2-pyridinyl]carbazole-3,6-dicarbonitrile
CID 121312507
9-[6-carbazol-9-yl-4-(2-cyanophenyl)-2-pyridinyl]carbazole-3,6-dicarbonitrile
CID 121312383
9-[6-carbazol-9-yl-4-[2-(2-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3-carbonitrile;9-[6-carbazol-9-yl-4-[2-(3-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3-carbonitrile;9-[6-carbazol-9-yl-4-[2-(4-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3-carbonitrile;9-[6-carbazol-9-yl-4-[2-(2-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile
CID 158469733
9-[6-carbazol-9-yl-4-(2,4-dicyanophenyl)-2-pyridinyl]carbazole-3,6-dicarbonitrile
CID 155179704
9-[6-carbazol-9-yl-4-(4-cyanophenyl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-carbazol-9-yl-4-(2-cyanophenyl)-2-pyridinyl]carbazole-3,6-dicarbonitrile;9-[6-carbazol-9-yl-4-(3-cyanophenyl)-2-pyridinyl]carbazole-3,6-dicarbonitrile;9-[6-carbazol-9-yl-4-(4-cyanophenyl)-2-pyridinyl]carbazole-3,6-dicarbonitrile
CID 165039885
9-[3-carbazol-9-yl-5-[2-[2-[2-(4-cyanophenyl)phenyl]phenyl]phenyl]phenyl]carbazole-3,6-dicarbonitrile;2-[2-[2-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]phenyl]benzonitrile;3-[2-[2-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]phenyl]benzonitrile
CID 164964760
9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile
CID 118650226
9-[6-carbazol-9-yl-4-[3-(3-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile
CID 121312485
9-[4-[2-(2-cyanophenyl)phenyl]-6-pyrido[2,3-b]indol-9-yl-2-pyridinyl]carbazole-3,6-dicarbonitrile
CID 121312480
4-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile
CID 121312512
9-[6-carbazol-9-yl-4-[3-(2-isocyanophenyl)phenyl]-2-pyridinyl]carbazole;9-[6-carbazol-9-yl-4-[3-(2-isocyanophenyl)phenyl]-2-pyridinyl]carbazole-3-carbonitrile;3-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile;4-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile
CID 159495222
4-[2-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile
CID 138708456

Frequently Asked Questions

What is the IUPAC name of 9-[6-carbazol-9-yl-4-[2-(4-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile?
The IUPAC name of 9-[6-carbazol-9-yl-4-[2-(4-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile (CID 121312324) is 9-[6-carbazol-9-yl-4-[2-(4-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile.
What is the SMILES notation for 9-[6-carbazol-9-yl-4-[2-(4-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile?
The canonical SMILES for 9-[6-carbazol-9-yl-4-[2-(4-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile is N#Cc1ccc(-c2ccccc2-c2cc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccc(C#N)cc4c4cc(C#N)ccc43)c2)cc1.
What is the InChIKey of 9-[6-carbazol-9-yl-4-[2-(4-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile?
The InChIKey is ZOEXNBOJPHJEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24N6/c45-25-28-13-17-31(18-14-28)33-7-1-2-8-34(33)32-23-43(49-39-11-5-3-9-35(39)36-10-4-6-12-40(36)49)48-44(24-32)50-41-19-15-29(26-46)21-37(41)38-22-30(27-47)16-20-42(38)50/h1-24H.
What are the key properties of 9-[6-carbazol-9-yl-4-[2-(4-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile?
9-[6-carbazol-9-yl-4-[2-(4-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile has a molecular weight of 636.72 g/mol, XLogP of 10.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-carbazol-9-yl-4-[2-(4-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile is sourced from PubChem (CID 121312324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).