9-[2-[2-(3-carbazol-9-ylphenyl)-4-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile

C45H25N5 — CID 155081062

IUPAC9-[2-[2-(3-carbazol-9-ylphenyl)-4-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc(-c2c(C#N)cccc2-n2c3ccccc3c3cc(C#N)ccc32)c(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C45H25N5/c46-26-29-19-21-37(38(23-29)31-9-7-11-33(25-31)49-40-15-4-1-12-34(40)35-13-2-5-16-41(35)49)45-32(28-48)10-8-18-44(45)50-42-17-6-3-14-36(42)39-24-30(27-47)20-22-43(39)50/h1-25H
InChIKeyMYWAWFYSDLTHIA-UHFFFAOYSA-N
MW635.73 g/mol
LogP10.83
Rot. Bonds4

About 9-[2-[2-(3-carbazol-9-ylphenyl)-4-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile

9-[2-[2-(3-carbazol-9-ylphenyl)-4-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile (PubChem CID 155081062) has the molecular formula C45H25N5 and a molecular weight of 635.73 g/mol. Its IUPAC name is 9-[2-[2-(3-carbazol-9-ylphenyl)-4-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[2-[2-(3-carbazol-9-ylphenyl)-4-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile
PubChem CID155081062
Molecular FormulaC45H25N5
Molecular Weight635.73 g/mol
Exact Mass635.21
IUPAC Name9-[2-[2-(3-carbazol-9-ylphenyl)-4-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc(-c2c(C#N)cccc2-n2c3ccccc3c3cc(C#N)ccc32)c(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C45H25N5/c46-26-29-19-21-37(38(23-29)31-9-7-11-33(25-31)49-40-15-4-1-12-34(40)35-13-2-5-16-41(35)49)45-32(28-48)10-8-18-44(45)50-42-17-6-3-14-36(42)39-24-30(27-47)20-22-43(39)50/h1-25H
InChIKeyMYWAWFYSDLTHIA-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

3-carbazol-9-yl-2-[2-(3-carbazol-9-ylphenyl)-4-cyanophenyl]benzonitrile
CID 155080464
9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-3,5-dicarbonitrile
CID 155080977
9-[3-[5-cyano-2-[2-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155081657
9-[2-[4-cyano-2-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155081656
2-(2-carbazol-9-ylphenyl)-3-[3-(3-cyanocarbazol-9-yl)phenyl]benzene-1,4-dicarbonitrile
CID 155080920
9-[3-[2-(2-carbazol-9-yl-5-cyanophenyl)-4-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155080892
9-[2-[3-cyano-2-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155081646
9-[3-[2-(2-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-2,6-dicarbonitrile
CID 155080179
9-[2-[2-(3-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-2,6-dicarbonitrile
CID 155081621
4-(2-carbazol-9-ylphenyl)-2-[3-(3-cyanocarbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
CID 155604943
9-[3-[2-(2-carbazol-9-ylphenyl)-5-cyanophenyl]phenyl]carbazole-2,6-dicarbonitrile
CID 155081672
3-[2-(3-carbazol-9-ylphenyl)phenyl]-4-(3-cyanocarbazol-9-yl)benzene-1,2-dicarbonitrile
CID 155081614

Frequently Asked Questions

What is the IUPAC name of 9-[2-[2-(3-carbazol-9-ylphenyl)-4-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile?
The IUPAC name of 9-[2-[2-(3-carbazol-9-ylphenyl)-4-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile (CID 155081062) is 9-[2-[2-(3-carbazol-9-ylphenyl)-4-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[2-[2-(3-carbazol-9-ylphenyl)-4-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[2-[2-(3-carbazol-9-ylphenyl)-4-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile is N#Cc1ccc(-c2c(C#N)cccc2-n2c3ccccc3c3cc(C#N)ccc32)c(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1.
What is the InChIKey of 9-[2-[2-(3-carbazol-9-ylphenyl)-4-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile?
The InChIKey is MYWAWFYSDLTHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25N5/c46-26-29-19-21-37(38(23-29)31-9-7-11-33(25-31)49-40-15-4-1-12-34(40)35-13-2-5-16-41(35)49)45-32(28-48)10-8-18-44(45)50-42-17-6-3-14-36(42)39-24-30(27-47)20-22-43(39)50/h1-25H.
What are the key properties of 9-[2-[2-(3-carbazol-9-ylphenyl)-4-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile?
9-[2-[2-(3-carbazol-9-ylphenyl)-4-cyanophenyl]-3-cyanophenyl]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-[2-[2-(3-carbazol-9-ylphenyl)-4-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 155081062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).