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

C45H25N5 — CID 155081730

IUPAC9-[3-[3-[3-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1c(C#N)cccc1-c1cccc(-c2cccc(-n3c4ccccc4c4ccc(C#N)cc43)c2)c1
InChIInChI=1S/C45H25N5/c46-26-29-19-21-43-40(22-29)38-14-2-4-17-42(38)50(43)45-34(28-48)11-7-15-36(45)33-10-5-8-31(24-33)32-9-6-12-35(25-32)49-41-16-3-1-13-37(41)39-20-18-30(27-47)23-44(39)49/h1-25H
InChIKeyUEQZFGPUVDUZLV-UHFFFAOYSA-N
MW635.73 g/mol
LogP10.83
Rot. Bonds4

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

9-[3-[3-[3-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile (PubChem CID 155081730) has the molecular formula C45H25N5 and a molecular weight of 635.73 g/mol. Its IUPAC name is 9-[3-[3-[3-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile.

Molecular Properties

Compound Name9-[3-[3-[3-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
PubChem CID155081730
Molecular FormulaC45H25N5
Molecular Weight635.73 g/mol
Exact Mass635.21
IUPAC Name9-[3-[3-[3-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1c(C#N)cccc1-c1cccc(-c2cccc(-n3c4ccccc4c4ccc(C#N)cc43)c2)c1
InChIInChI=1S/C45H25N5/c46-26-29-19-21-43-40(22-29)38-14-2-4-17-42(38)50(43)45-34(28-48)11-7-15-36(45)33-10-5-8-31(24-33)32-9-6-12-35(25-32)49-41-16-3-1-13-37(41)39-20-18-30(27-47)23-44(39)49/h1-25H
InChIKeyUEQZFGPUVDUZLV-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-[2-cyano-6-[3-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155080276
9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155081749
9-[9-[2-(3-carbazol-9-ylphenyl)-6-cyanophenyl]carbazol-4-yl]carbazole-3-carbonitrile
CID 154958107
9-[9-[3-(2-carbazol-9-yl-3-cyanophenyl)phenyl]carbazol-1-yl]carbazole-3-carbonitrile
CID 154958643
9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile
CID 155081789
9-[3-[3-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]phenyl]carbazole-3-carbonitrile
CID 155604444
9-[3-[3-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 155603959
5-[2-(3-carbazol-9-ylphenyl)phenyl]-4-(3-cyanocarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 155080872
2-carbazol-9-yl-3-[4-(3-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155079640
9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)phenyl]-4-cyanophenyl]carbazole-3-carbonitrile
CID 155081747
9-[2-[2-(3-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-2,6-dicarbonitrile
CID 155081621
9-[2-[3-cyano-2-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155081646

Frequently Asked Questions

What is the IUPAC name of 9-[3-[3-[3-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile?
The IUPAC name of 9-[3-[3-[3-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile (CID 155081730) is 9-[3-[3-[3-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile.
What is the SMILES notation for 9-[3-[3-[3-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile?
The canonical SMILES for 9-[3-[3-[3-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1c(C#N)cccc1-c1cccc(-c2cccc(-n3c4ccccc4c4ccc(C#N)cc43)c2)c1.
What is the InChIKey of 9-[3-[3-[3-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile?
The InChIKey is UEQZFGPUVDUZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25N5/c46-26-29-19-21-43-40(22-29)38-14-2-4-17-42(38)50(43)45-34(28-48)11-7-15-36(45)33-10-5-8-31(24-33)32-9-6-12-35(25-32)49-41-16-3-1-13-37(41)39-20-18-30(27-47)23-44(39)49/h1-25H.
What are the key properties of 9-[3-[3-[3-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile?
9-[3-[3-[3-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-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-[3-[3-[3-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile is sourced from PubChem (CID 155081730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).