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

C45H25N5 — CID 155081656

IUPAC9-[2-[4-cyano-2-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
SMILESN#Cc1ccc(-c2ccccc2-n2c3ccccc3c3cccc(C#N)c32)c(-c2cccc(-n3c4ccccc4c4cc(C#N)ccc43)c2)c1
InChIInChI=1S/C45H25N5/c46-26-29-19-21-34(35-12-1-5-17-42(35)50-43-18-6-2-13-36(43)38-15-8-10-32(28-48)45(38)50)39(23-29)31-9-7-11-33(25-31)49-41-16-4-3-14-37(41)40-24-30(27-47)20-22-44(40)49/h1-25H
InChIKeyGQRKJZMGDQVJAT-UHFFFAOYSA-N
MW635.73 g/mol
LogP10.83
Rot. Bonds4

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

9-[2-[4-cyano-2-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile (PubChem CID 155081656) has the molecular formula C45H25N5 and a molecular weight of 635.73 g/mol. Its IUPAC name is 9-[2-[4-cyano-2-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile.

Molecular Properties

Compound Name9-[2-[4-cyano-2-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
PubChem CID155081656
Molecular FormulaC45H25N5
Molecular Weight635.73 g/mol
Exact Mass635.21
IUPAC Name9-[2-[4-cyano-2-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
SMILESN#Cc1ccc(-c2ccccc2-n2c3ccccc3c3cccc(C#N)c32)c(-c2cccc(-n3c4ccccc4c4cc(C#N)ccc43)c2)c1
InChIInChI=1S/C45H25N5/c46-26-29-19-21-34(35-12-1-5-17-42(35)50-43-18-6-2-13-36(43)38-15-8-10-32(28-48)45(38)50)39(23-29)31-9-7-11-33(25-31)49-41-16-4-3-14-37(41)40-24-30(27-47)20-22-44(40)49/h1-25H
InChIKeyGQRKJZMGDQVJAT-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-[2-[5-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155080904
9-[3-[5-cyano-2-[2-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155081657
9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-1-carbonitrile
CID 155080711
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
9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1,6-dicarbonitrile
CID 155080660
9-[3-[2-(2-carbazol-9-ylphenyl)-5-cyanophenyl]phenyl]carbazole-2,6-dicarbonitrile
CID 155081672
9-[2-[2-(4-carbazol-9-ylphenyl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 155079535
9-[2-[3-[3-cyano-5-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1,6-dicarbonitrile
CID 155081790
9-[2-[2-(3-carbazol-9-ylphenyl)-4-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 155081062
9-[2-cyano-6-[3-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155080276
9-[3-[2-(2-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-2,6-dicarbonitrile
CID 155080179

Frequently Asked Questions

What is the IUPAC name of 9-[2-[4-cyano-2-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile?
The IUPAC name of 9-[2-[4-cyano-2-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile (CID 155081656) is 9-[2-[4-cyano-2-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile.
What is the SMILES notation for 9-[2-[4-cyano-2-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile?
The canonical SMILES for 9-[2-[4-cyano-2-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile is N#Cc1ccc(-c2ccccc2-n2c3ccccc3c3cccc(C#N)c32)c(-c2cccc(-n3c4ccccc4c4cc(C#N)ccc43)c2)c1.
What is the InChIKey of 9-[2-[4-cyano-2-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile?
The InChIKey is GQRKJZMGDQVJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25N5/c46-26-29-19-21-34(35-12-1-5-17-42(35)50-43-18-6-2-13-36(43)38-15-8-10-32(28-48)45(38)50)39(23-29)31-9-7-11-33(25-31)49-41-16-4-3-14-37(41)40-24-30(27-47)20-22-44(40)49/h1-25H.
What are the key properties of 9-[2-[4-cyano-2-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile?
9-[2-[4-cyano-2-[3-(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-[4-cyano-2-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile is sourced from PubChem (CID 155081656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).