2-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]quinoxaline-6,7-dicarbonitrile

C63H35N9 — CID 146512454

IUPAC2-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]quinoxaline-6,7-dicarbonitrile
SMILESN#Cc1cc2ncc(-c3c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)c3-n3c4ccccc4c4ccccc43)nc2cc1C#N
InChIInChI=1S/C63H35N9/c64-35-38-33-48-49(34-39(38)36-65)67-50(37-66-48)59-60(69-51-25-9-1-17-40(51)41-18-2-10-26-52(41)69)62(71-55-29-13-5-21-44(55)45-22-6-14-30-56(45)71)68-63(72-57-31-15-7-23-46(57)47-24-8-16-32-58(47)72)61(59)70-53-27-11-3-19-42(53)43-20-4-12-28-54(43)70/h1-34,37H
InChIKeyWUMQDCYZBVWAHY-UHFFFAOYSA-N
MW918.04 g/mol
LogP14.82
Rot. Bonds5

About 2-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]quinoxaline-6,7-dicarbonitrile

2-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]quinoxaline-6,7-dicarbonitrile (PubChem CID 146512454) has the molecular formula C63H35N9 and a molecular weight of 918.04 g/mol. Its IUPAC name is 2-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]quinoxaline-6,7-dicarbonitrile.

Molecular Properties

Compound Name2-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]quinoxaline-6,7-dicarbonitrile
PubChem CID146512454
Molecular FormulaC63H35N9
Molecular Weight918.04 g/mol
Exact Mass917.30
IUPAC Name2-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]quinoxaline-6,7-dicarbonitrile
SMILESN#Cc1cc2ncc(-c3c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)c3-n3c4ccccc4c4ccccc43)nc2cc1C#N
InChIInChI=1S/C63H35N9/c64-35-38-33-48-49(34-39(38)36-65)67-50(37-66-48)59-60(69-51-25-9-1-17-40(51)41-18-2-10-26-52(41)69)62(71-55-29-13-5-21-44(55)45-22-6-14-30-56(45)71)68-63(72-57-31-15-7-23-46(57)47-24-8-16-32-58(47)72)61(59)70-53-27-11-3-19-42(53)43-20-4-12-28-54(43)70/h1-34,37H
InChIKeyWUMQDCYZBVWAHY-UHFFFAOYSA-N
XLogP14.82
TPSA105.97 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500918.04
LogP ≤ 514.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2,4,6-tri(carbazol-9-yl)pyridine-3,5-dicarbonitrile
CID 149222859
4-[2,3,5-tris(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile
CID 166759220
2,3,5,6-tetra(carbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)benzonitrile
CID 156678674
3-[2,3,5,6-tetrakis(pyrido[4,3-b]indol-5-yl)-4-pyridinyl]benzonitrile
CID 170438068
CID 159722355
CID 159722355
4-[2,3,6-tris(pyrido[3,4-b]indol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile
CID 166759204
4,6-di(carbazol-9-yl)-5-[2,6-di(carbazol-9-yl)-3,4,5-tricyanophenyl]benzene-1,2,3-tricarbonitrile
CID 129312900
9-[2,6-di(carbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-pyridin-2-yl-3-pyridinyl]-3,6-diphenylcarbazole
CID 137368341
5-[2,4,6-tri(carbazol-9-yl)-3,5-bis(5-cyanopyrazin-2-yl)phenyl]pyrimidine-2-carbonitrile
CID 135135980
9-[4-[2-(1,3-benzothiazol-2-yl)phenyl]-2,5,6-tris(3-cyanocarbazol-9-yl)-3-pyridinyl]carbazole-3-carbonitrile
CID 151561920
6-[3,4,5-tri(carbazol-9-yl)-2,6-bis(5-cyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile
CID 135136225
9-[3,5-di(carbazol-9-yl)-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]carbazole
CID 152654561

Frequently Asked Questions

What is the IUPAC name of 2-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]quinoxaline-6,7-dicarbonitrile?
The IUPAC name of 2-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]quinoxaline-6,7-dicarbonitrile (CID 146512454) is 2-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]quinoxaline-6,7-dicarbonitrile.
What is the SMILES notation for 2-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]quinoxaline-6,7-dicarbonitrile?
The canonical SMILES for 2-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]quinoxaline-6,7-dicarbonitrile is N#Cc1cc2ncc(-c3c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)c3-n3c4ccccc4c4ccccc43)nc2cc1C#N.
What is the InChIKey of 2-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]quinoxaline-6,7-dicarbonitrile?
The InChIKey is WUMQDCYZBVWAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H35N9/c64-35-38-33-48-49(34-39(38)36-65)67-50(37-66-48)59-60(69-51-25-9-1-17-40(51)41-18-2-10-26-52(41)69)62(71-55-29-13-5-21-44(55)45-22-6-14-30-56(45)71)68-63(72-57-31-15-7-23-46(57)47-24-8-16-32-58(47)72)61(59)70-53-27-11-3-19-42(53)43-20-4-12-28-54(43)70/h1-34,37H.
What are the key properties of 2-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]quinoxaline-6,7-dicarbonitrile?
2-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]quinoxaline-6,7-dicarbonitrile has a molecular weight of 918.04 g/mol, XLogP of 14.82, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]quinoxaline-6,7-dicarbonitrile is sourced from PubChem (CID 146512454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).