9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,6-dicarbonitrile

C45H25N5 — CID 155079786

IUPAC9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,6-dicarbonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccccc2-c2ccc(-n3c4ccc(C#N)cc4c4cc(C#N)ccc43)cc2)c1
InChIInChI=1S/C45H25N5/c46-26-29-15-22-45(50-41-11-5-3-9-36(41)37-10-4-6-12-42(37)50)38(23-29)35-8-2-1-7-34(35)32-16-18-33(19-17-32)49-43-20-13-30(27-47)24-39(43)40-25-31(28-48)14-21-44(40)49/h1-25H
InChIKeyVPMVCWZPOOKOMB-UHFFFAOYSA-N
MW635.73 g/mol
LogP10.83
Rot. Bonds4

About 9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,6-dicarbonitrile

9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,6-dicarbonitrile (PubChem CID 155079786) has the molecular formula C45H25N5 and a molecular weight of 635.73 g/mol. Its IUPAC name is 9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,6-dicarbonitrile.

Molecular Properties

Compound Name9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,6-dicarbonitrile
PubChem CID155079786
Molecular FormulaC45H25N5
Molecular Weight635.73 g/mol
Exact Mass635.21
IUPAC Name9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,6-dicarbonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccccc2-c2ccc(-n3c4ccc(C#N)cc4c4cc(C#N)ccc43)cc2)c1
InChIInChI=1S/C45H25N5/c46-26-29-15-22-45(50-41-11-5-3-9-36(41)37-10-4-6-12-42(37)50)38(23-29)35-8-2-1-7-34(35)32-16-18-33(19-17-32)49-43-20-13-30(27-47)24-39(43)40-25-31(28-48)14-21-44(40)49/h1-25H
InChIKeyVPMVCWZPOOKOMB-UHFFFAOYSA-N
XLogP10.83
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.73
LogP ≤ 510.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-[4-[5-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155081041
9-[4-[2-(2-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 147841230
9-[2-[5-cyano-2-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155081532
9-[9-[2-(4-cyanophenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile
CID 164957038
2-(2-carbazol-9-yl-5-cyanophenyl)-6-(4-carbazol-9-ylphenyl)benzonitrile
CID 155080419
9-[9-[4-(2-carbazol-9-yl-5-cyanophenyl)phenyl]carbazol-4-yl]carbazole-3-carbonitrile
CID 147828212
4-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-3-[2-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzonitrile
CID 164743889
9-[2-[3-(4-carbazol-9-ylphenyl)-4-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155081345
4-(2-carbazol-9-ylphenyl)-5-[4-(3-cyanocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile
CID 155081493
9-[4-[5-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155079728
9-[4-[3-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155079498
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-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,6-dicarbonitrile?
The IUPAC name of 9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,6-dicarbonitrile (CID 155079786) is 9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,6-dicarbonitrile.
What is the SMILES notation for 9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,6-dicarbonitrile?
The canonical SMILES for 9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,6-dicarbonitrile is N#Cc1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccccc2-c2ccc(-n3c4ccc(C#N)cc4c4cc(C#N)ccc43)cc2)c1.
What is the InChIKey of 9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,6-dicarbonitrile?
The InChIKey is VPMVCWZPOOKOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25N5/c46-26-29-15-22-45(50-41-11-5-3-9-36(41)37-10-4-6-12-42(37)50)38(23-29)35-8-2-1-7-34(35)32-16-18-33(19-17-32)49-43-20-13-30(27-47)24-39(43)40-25-31(28-48)14-21-44(40)49/h1-25H.
What are the key properties of 9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,6-dicarbonitrile?
9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,6-dicarbonitrile has a molecular weight of 635.73 g/mol, XLogP of 10.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,6-dicarbonitrile is sourced from PubChem (CID 155079786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).