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

C45H25N5 — CID 155604852

IUPAC9-[5-[3-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1ccc(C#N)cc1n2-c1cc(-c2cccc(-c3ccccc3-n3c4ccccc4c4ccccc43)c2)ccc1C#N
InChIInChI=1S/C45H25N5/c46-26-29-17-21-43-39(22-29)38-20-16-30(27-47)23-45(38)50(43)44-25-32(18-19-34(44)28-48)31-8-7-9-33(24-31)35-10-1-4-13-40(35)49-41-14-5-2-11-36(41)37-12-3-6-15-42(37)49/h1-25H
InChIKeyVGQPPVJMTUMWGQ-UHFFFAOYSA-N
MW635.73 g/mol
LogP10.83
Rot. Bonds4

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

9-[5-[3-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2,6-dicarbonitrile (PubChem CID 155604852) has the molecular formula C45H25N5 and a molecular weight of 635.73 g/mol. Its IUPAC name is 9-[5-[3-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2,6-dicarbonitrile.

Molecular Properties

Compound Name9-[5-[3-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2,6-dicarbonitrile
PubChem CID155604852
Molecular FormulaC45H25N5
Molecular Weight635.73 g/mol
Exact Mass635.21
IUPAC Name9-[5-[3-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1ccc(C#N)cc1n2-c1cc(-c2cccc(-c3ccccc3-n3c4ccccc4c4ccccc43)c2)ccc1C#N
InChIInChI=1S/C45H25N5/c46-26-29-17-21-43-39(22-29)38-20-16-30(27-47)23-45(38)50(43)44-25-32(18-19-34(44)28-48)31-8-7-9-33(24-31)35-10-1-4-13-40(35)49-41-14-5-2-11-36(41)37-12-3-6-15-42(37)49/h1-25H
InChIKeyVGQPPVJMTUMWGQ-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-[3-(3-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]carbazole-3-carbonitrile
CID 155080542
9-[2-[2-(3-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]carbazole-2,6-dicarbonitrile
CID 155080141
9-[2-cyano-5-[3-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155603815
9-[4-[3-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 155080575
9-[5-[2-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-2-carbonitrile
CID 154958901
2-carbazol-9-yl-5-[3-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,4-dicarbonitrile
CID 155080653
9-[4-[3-(2-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-2,6-dicarbonitrile
CID 155080706
9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2,6-dicarbonitrile
CID 155081617
4-[3-(2-carbazol-9-ylphenyl)phenyl]-2-(3-cyanocarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 155604429
9-[2-[2-cyano-5-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155080988
9-[4-[4-cyano-3-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155080950
9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2,6-dicarbonitrile
CID 155080077

Frequently Asked Questions

What is the IUPAC name of 9-[5-[3-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2,6-dicarbonitrile?
The IUPAC name of 9-[5-[3-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2,6-dicarbonitrile (CID 155604852) is 9-[5-[3-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2,6-dicarbonitrile.
What is the SMILES notation for 9-[5-[3-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2,6-dicarbonitrile?
The canonical SMILES for 9-[5-[3-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2,6-dicarbonitrile is N#Cc1ccc2c(c1)c1ccc(C#N)cc1n2-c1cc(-c2cccc(-c3ccccc3-n3c4ccccc4c4ccccc43)c2)ccc1C#N.
What is the InChIKey of 9-[5-[3-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2,6-dicarbonitrile?
The InChIKey is VGQPPVJMTUMWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25N5/c46-26-29-17-21-43-39(22-29)38-20-16-30(27-47)23-45(38)50(43)44-25-32(18-19-34(44)28-48)31-8-7-9-33(24-31)35-10-1-4-13-40(35)49-41-14-5-2-11-36(41)37-12-3-6-15-42(37)49/h1-25H.
What are the key properties of 9-[5-[3-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2,6-dicarbonitrile?
9-[5-[3-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2,6-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-[5-[3-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2,6-dicarbonitrile is sourced from PubChem (CID 155604852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).