9-[2-[2-(4-carbazol-9-ylphenyl)-4,6-dicyanophenyl]phenyl]carbazole-3,6-dicarbonitrile

C46H24N6 — CID 155081498

IUPAC9-[2-[2-(4-carbazol-9-ylphenyl)-4,6-dicyanophenyl]phenyl]carbazole-3,6-dicarbonitrile
SMILESN#Cc1cc(C#N)c(-c2ccccc2-n2c3ccc(C#N)cc3c3cc(C#N)ccc32)c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1
InChIInChI=1S/C46H24N6/c47-25-29-13-19-44-39(22-29)40-23-30(26-48)14-20-45(40)52(44)43-12-6-3-9-37(43)46-33(28-50)21-31(27-49)24-38(46)32-15-17-34(18-16-32)51-41-10-4-1-7-35(41)36-8-2-5-11-42(36)51/h1-24H
InChIKeyASXUGAUMKVYYEB-UHFFFAOYSA-N
MW660.74 g/mol
LogP10.70
Rot. Bonds4

About 9-[2-[2-(4-carbazol-9-ylphenyl)-4,6-dicyanophenyl]phenyl]carbazole-3,6-dicarbonitrile

9-[2-[2-(4-carbazol-9-ylphenyl)-4,6-dicyanophenyl]phenyl]carbazole-3,6-dicarbonitrile (PubChem CID 155081498) has the molecular formula C46H24N6 and a molecular weight of 660.74 g/mol. Its IUPAC name is 9-[2-[2-(4-carbazol-9-ylphenyl)-4,6-dicyanophenyl]phenyl]carbazole-3,6-dicarbonitrile.

Molecular Properties

Compound Name9-[2-[2-(4-carbazol-9-ylphenyl)-4,6-dicyanophenyl]phenyl]carbazole-3,6-dicarbonitrile
PubChem CID155081498
Molecular FormulaC46H24N6
Molecular Weight660.74 g/mol
Exact Mass660.21
IUPAC Name9-[2-[2-(4-carbazol-9-ylphenyl)-4,6-dicyanophenyl]phenyl]carbazole-3,6-dicarbonitrile
SMILESN#Cc1cc(C#N)c(-c2ccccc2-n2c3ccc(C#N)cc3c3cc(C#N)ccc32)c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1
InChIInChI=1S/C46H24N6/c47-25-29-13-19-44-39(22-29)40-23-30(26-48)14-20-45(40)52(44)43-12-6-3-9-37(43)46-33(28-50)21-31(27-49)24-38(46)32-15-17-34(18-16-32)51-41-10-4-1-7-35(41)36-8-2-5-11-42(36)51/h1-24H
InChIKeyASXUGAUMKVYYEB-UHFFFAOYSA-N
XLogP10.70
TPSA105.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.74
LogP ≤ 510.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-carbazol-9-ylphenyl)-5-(4-carbazol-9-ylphenyl)benzene-1,3-dicarbonitrile
CID 155080495
5-carbazol-9-yl-4-[2-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,3-dicarbonitrile
CID 155080571
4-(2-carbazol-9-ylphenyl)-5-[4-(3-cyanocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile
CID 155081493
9-[2-[3-(4-carbazol-9-ylphenyl)-4-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155081345
9-[4-[5-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155079728
9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 155079786
9-[9-[2-(4-cyanophenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile
CID 164957038
9-[4-[2-(2-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155079670
9-[2-[3-cyano-4-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155080885
9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 155080883
9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155081374
9-[2-[5-cyano-2-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155081532

Frequently Asked Questions

What is the IUPAC name of 9-[2-[2-(4-carbazol-9-ylphenyl)-4,6-dicyanophenyl]phenyl]carbazole-3,6-dicarbonitrile?
The IUPAC name of 9-[2-[2-(4-carbazol-9-ylphenyl)-4,6-dicyanophenyl]phenyl]carbazole-3,6-dicarbonitrile (CID 155081498) is 9-[2-[2-(4-carbazol-9-ylphenyl)-4,6-dicyanophenyl]phenyl]carbazole-3,6-dicarbonitrile.
What is the SMILES notation for 9-[2-[2-(4-carbazol-9-ylphenyl)-4,6-dicyanophenyl]phenyl]carbazole-3,6-dicarbonitrile?
The canonical SMILES for 9-[2-[2-(4-carbazol-9-ylphenyl)-4,6-dicyanophenyl]phenyl]carbazole-3,6-dicarbonitrile is N#Cc1cc(C#N)c(-c2ccccc2-n2c3ccc(C#N)cc3c3cc(C#N)ccc32)c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1.
What is the InChIKey of 9-[2-[2-(4-carbazol-9-ylphenyl)-4,6-dicyanophenyl]phenyl]carbazole-3,6-dicarbonitrile?
The InChIKey is ASXUGAUMKVYYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H24N6/c47-25-29-13-19-44-39(22-29)40-23-30(26-48)14-20-45(40)52(44)43-12-6-3-9-37(43)46-33(28-50)21-31(27-49)24-38(46)32-15-17-34(18-16-32)51-41-10-4-1-7-35(41)36-8-2-5-11-42(36)51/h1-24H.
What are the key properties of 9-[2-[2-(4-carbazol-9-ylphenyl)-4,6-dicyanophenyl]phenyl]carbazole-3,6-dicarbonitrile?
9-[2-[2-(4-carbazol-9-ylphenyl)-4,6-dicyanophenyl]phenyl]carbazole-3,6-dicarbonitrile has a molecular weight of 660.74 g/mol, XLogP of 10.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[2-(4-carbazol-9-ylphenyl)-4,6-dicyanophenyl]phenyl]carbazole-3,6-dicarbonitrile is sourced from PubChem (CID 155081498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).