9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile

C31H17N5 — CID 118650226

IUPAC9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cccc(-n2c3ccccc3c3ccccc32)n1
InChIInChI=1S/C31H17N5/c32-18-20-12-14-28-24(16-20)25-17-21(19-33)13-15-29(25)36(28)31-11-5-10-30(34-31)35-26-8-3-1-6-22(26)23-7-2-4-9-27(23)35/h1-17H
InChIKeyVUWPBGGLLRVLDS-UHFFFAOYSA-N
MW459.51 g/mol
LogP7.02
Rot. Bonds2

About 9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile

9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile (PubChem CID 118650226) has the molecular formula C31H17N5 and a molecular weight of 459.51 g/mol. Its IUPAC name is 9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile.

Molecular Properties

Compound Name9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile
PubChem CID118650226
Molecular FormulaC31H17N5
Molecular Weight459.51 g/mol
Exact Mass459.15
IUPAC Name9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cccc(-n2c3ccccc3c3ccccc32)n1
InChIInChI=1S/C31H17N5/c32-18-20-12-14-28-24(16-20)25-17-21(19-33)13-15-29(25)36(28)31-11-5-10-30(34-31)35-26-8-3-1-6-22(26)23-7-2-4-9-27(23)35/h1-17H
InChIKeyVUWPBGGLLRVLDS-UHFFFAOYSA-N
XLogP7.02
TPSA70.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.51
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile;9-[6-(3-isocyanocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile
CID 158309650
9-(3-carbazol-9-ylphenyl)carbazole;9-(6-carbazol-9-yl-2-pyridinyl)carbazole;9-[3,5-di(carbazol-9-yl)phenyl]carbazole;9-[6-(3-methylcarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile
CID 158181129
9-[6-carbazol-9-yl-4-[3-(3-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile
CID 121312485
9-[6-carbazol-9-yl-4-[2-(4-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile
CID 121312324
9-[6-carbazol-9-yl-4-(2,4-dicyanophenyl)-2-pyridinyl]carbazole-3,6-dicarbonitrile
CID 155179704
9-[6-carbazol-9-yl-4-(2-cyanophenyl)-2-pyridinyl]carbazole-3,6-dicarbonitrile
CID 121312383
9-(2-carbazol-9-yl-6-cyano-4-pyridinyl)carbazole-3-carbonitrile
CID 170443521
9-[6-(2-isocyano-[1]benzothiolo[2,3-b]carbazol-7-yl)-2-pyridinyl]carbazole-3-carbonitrile
CID 140822672
9-(6-carbazol-9-yldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 134337735
4-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile
CID 121312512
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
6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile
CID 134597724

Frequently Asked Questions

What is the IUPAC name of 9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile?
The IUPAC name of 9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile (CID 118650226) is 9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile.
What is the SMILES notation for 9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile?
The canonical SMILES for 9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile is N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cccc(-n2c3ccccc3c3ccccc32)n1.
What is the InChIKey of 9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile?
The InChIKey is VUWPBGGLLRVLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H17N5/c32-18-20-12-14-28-24(16-20)25-17-21(19-33)13-15-29(25)36(28)31-11-5-10-30(34-31)35-26-8-3-1-6-22(26)23-7-2-4-9-27(23)35/h1-17H.
What are the key properties of 9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile?
9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile has a molecular weight of 459.51 g/mol, XLogP of 7.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile is sourced from PubChem (CID 118650226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).