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

C45H25N5 — CID 155603860

IUPAC9-[4-cyano-2-[3-[3-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cc(C#N)ccc32)c(-c2cccc(-c3cccc(-n4c5ccccc5c5c(C#N)cccc54)c3)c2)c1
InChIInChI=1S/C45H25N5/c46-26-29-18-20-42(50-40-15-3-1-13-36(40)39-23-30(27-47)19-21-43(39)50)38(22-29)33-10-5-8-31(24-33)32-9-6-12-35(25-32)49-41-16-4-2-14-37(41)45-34(28-48)11-7-17-44(45)49/h1-25H
InChIKeyBANRPUWMIKSMKT-UHFFFAOYSA-N
MW635.73 g/mol
LogP10.83
Rot. Bonds4

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

9-[4-cyano-2-[3-[3-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile (PubChem CID 155603860) has the molecular formula C45H25N5 and a molecular weight of 635.73 g/mol. Its IUPAC name is 9-[4-cyano-2-[3-[3-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[4-cyano-2-[3-[3-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
PubChem CID155603860
Molecular FormulaC45H25N5
Molecular Weight635.73 g/mol
Exact Mass635.21
IUPAC Name9-[4-cyano-2-[3-[3-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cc(C#N)ccc32)c(-c2cccc(-c3cccc(-n4c5ccccc5c5c(C#N)cccc54)c3)c2)c1
InChIInChI=1S/C45H25N5/c46-26-29-18-20-42(50-40-15-3-1-13-36(40)39-23-30(27-47)19-21-43(39)50)38(22-29)33-10-5-8-31(24-33)32-9-6-12-35(25-32)49-41-16-4-2-14-37(41)45-34(28-48)11-7-17-44(45)49/h1-25H
InChIKeyBANRPUWMIKSMKT-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-[3-[5-cyano-2-[2-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155081657
9-[2-cyano-3-[3-[2-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155086420
9-[3-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3,5-dicarbonitrile
CID 155081782
9-[3-[2-(2-carbazol-9-yl-5-cyanophenyl)-4-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155080892
9-[2-cyano-4-[4-[2-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155081622
9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-3,5-dicarbonitrile
CID 155080977
9-[9-[2-(3-carbazol-9-ylphenyl)-6-cyanophenyl]carbazol-4-yl]carbazole-3-carbonitrile
CID 154958107
9-[3-[2-[5-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155080904
9-[3-[4-[2-(4-cyanocarbazol-9-yl)-4-isocyanophenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155603548
9-[2-[3-(3-carbazol-9-ylphenyl)-2-cyanophenyl]-4-cyanophenyl]carbazole-3-carbonitrile
CID 155080249
9-[4-[3-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 155080575
9-[2-[2-(3-carbazol-9-ylphenyl)-4-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 155081062

Frequently Asked Questions

What is the IUPAC name of 9-[4-cyano-2-[3-[3-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile?
The IUPAC name of 9-[4-cyano-2-[3-[3-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile (CID 155603860) is 9-[4-cyano-2-[3-[3-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[4-cyano-2-[3-[3-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[4-cyano-2-[3-[3-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile is N#Cc1ccc(-n2c3ccccc3c3cc(C#N)ccc32)c(-c2cccc(-c3cccc(-n4c5ccccc5c5c(C#N)cccc54)c3)c2)c1.
What is the InChIKey of 9-[4-cyano-2-[3-[3-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile?
The InChIKey is BANRPUWMIKSMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25N5/c46-26-29-18-20-42(50-40-15-3-1-13-36(40)39-23-30(27-47)19-21-43(39)50)38(22-29)33-10-5-8-31(24-33)32-9-6-12-35(25-32)49-41-16-4-2-14-37(41)45-34(28-48)11-7-17-44(45)49/h1-25H.
What are the key properties of 9-[4-cyano-2-[3-[3-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile?
9-[4-cyano-2-[3-[3-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-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-[4-cyano-2-[3-[3-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 155603860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).