9-[2-[2-cyano-4-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile

C45H25N5 — CID 155080166

IUPAC9-[2-[2-cyano-4-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-c3ccccc3-n3c4ccccc4c4cccc(C#N)c43)c(C#N)c2)cc1
InChIInChI=1S/C45H25N5/c46-26-29-16-23-44-40(24-29)38-11-3-4-13-41(38)49(44)34-20-17-30(18-21-34)31-19-22-35(33(25-31)28-48)36-9-1-5-14-42(36)50-43-15-6-2-10-37(43)39-12-7-8-32(27-47)45(39)50/h1-25H
InChIKeyGCNOPTPTVGXWJJ-UHFFFAOYSA-N
MW635.73 g/mol
LogP10.83
Rot. Bonds4

About 9-[2-[2-cyano-4-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile

9-[2-[2-cyano-4-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile (PubChem CID 155080166) has the molecular formula C45H25N5 and a molecular weight of 635.73 g/mol. Its IUPAC name is 9-[2-[2-cyano-4-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile.

Molecular Properties

Compound Name9-[2-[2-cyano-4-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
PubChem CID155080166
Molecular FormulaC45H25N5
Molecular Weight635.73 g/mol
Exact Mass635.21
IUPAC Name9-[2-[2-cyano-4-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-c3ccccc3-n3c4ccccc4c4cccc(C#N)c43)c(C#N)c2)cc1
InChIInChI=1S/C45H25N5/c46-26-29-16-23-44-40(24-29)38-11-3-4-13-41(38)49(44)34-20-17-30(18-21-34)31-19-22-35(33(25-31)28-48)36-9-1-5-14-42(36)50-43-15-6-2-10-37(43)39-12-7-8-32(27-47)45(39)50/h1-25H
InChIKeyGCNOPTPTVGXWJJ-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-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155081374
9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 155080883
9-[2-[4-(4-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 155081310
9-[2-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]phenyl]carbazole-1,6-dicarbonitrile
CID 155080053
9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-1,6-dicarbonitrile
CID 155081620
9-[2-[2-(4-carbazol-9-ylphenyl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 155079535
9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1,6-dicarbonitrile
CID 155080660
9-[2-[3-(4-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-1,6-dicarbonitrile
CID 155080093
9-[4-[2-(2-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155079670
9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 155081602
9-[2-[2-cyano-5-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155081162
9-[2-[5-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1,6-dicarbonitrile
CID 155080273

Frequently Asked Questions

What is the IUPAC name of 9-[2-[2-cyano-4-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile?
The IUPAC name of 9-[2-[2-cyano-4-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile (CID 155080166) is 9-[2-[2-cyano-4-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile.
What is the SMILES notation for 9-[2-[2-cyano-4-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile?
The canonical SMILES for 9-[2-[2-cyano-4-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-c3ccccc3-n3c4ccccc4c4cccc(C#N)c43)c(C#N)c2)cc1.
What is the InChIKey of 9-[2-[2-cyano-4-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile?
The InChIKey is GCNOPTPTVGXWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25N5/c46-26-29-16-23-44-40(24-29)38-11-3-4-13-41(38)49(44)34-20-17-30(18-21-34)31-19-22-35(33(25-31)28-48)36-9-1-5-14-42(36)50-43-15-6-2-10-37(43)39-12-7-8-32(27-47)45(39)50/h1-25H.
What are the key properties of 9-[2-[2-cyano-4-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile?
9-[2-[2-cyano-4-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile 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-[2-[2-cyano-4-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile is sourced from PubChem (CID 155080166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).