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

C45H25N5 — CID 155080249

IUPAC9-[2-[3-(3-carbazol-9-ylphenyl)-2-cyanophenyl]-4-cyanophenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cc(C#N)ccc32)c(-c2cccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2C#N)c1
InChIInChI=1S/C45H25N5/c46-26-29-19-21-44(50-43-18-6-3-13-37(43)39-24-30(27-47)20-22-45(39)50)38(23-29)34-15-8-14-33(40(34)28-48)31-9-7-10-32(25-31)49-41-16-4-1-11-35(41)36-12-2-5-17-42(36)49/h1-25H
InChIKeyGXOODAINVMUMJR-UHFFFAOYSA-N
MW635.73 g/mol
LogP10.83
Rot. Bonds4

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

9-[2-[3-(3-carbazol-9-ylphenyl)-2-cyanophenyl]-4-cyanophenyl]carbazole-3-carbonitrile (PubChem CID 155080249) has the molecular formula C45H25N5 and a molecular weight of 635.73 g/mol. Its IUPAC name is 9-[2-[3-(3-carbazol-9-ylphenyl)-2-cyanophenyl]-4-cyanophenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[2-[3-(3-carbazol-9-ylphenyl)-2-cyanophenyl]-4-cyanophenyl]carbazole-3-carbonitrile
PubChem CID155080249
Molecular FormulaC45H25N5
Molecular Weight635.73 g/mol
Exact Mass635.21
IUPAC Name9-[2-[3-(3-carbazol-9-ylphenyl)-2-cyanophenyl]-4-cyanophenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cc(C#N)ccc32)c(-c2cccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2C#N)c1
InChIInChI=1S/C45H25N5/c46-26-29-19-21-44(50-43-18-6-3-13-37(43)39-24-30(27-47)20-22-45(39)50)38(23-29)34-15-8-14-33(40(34)28-48)31-9-7-10-32(25-31)49-41-16-4-1-11-35(41)36-12-2-5-17-42(36)49/h1-25H
InChIKeyGXOODAINVMUMJR-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-(2-carbazol-9-yl-5-cyanophenyl)-4-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155080892
2-(2-carbazol-9-yl-5-cyanophenyl)-6-(4-carbazol-9-ylphenyl)benzonitrile
CID 155080419
2-(2-carbazol-9-ylphenyl)-6-(3-carbazol-9-ylphenyl)benzonitrile
CID 155081407
9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile
CID 155080742
9-[4-[3-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155079498
5-(2-carbazol-9-ylphenyl)-3-[3-(3-cyanocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile
CID 155081736
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
9-[2-[3-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]-8-isocyanocarbazole-3-carbonitrile
CID 155603610
3-[2-(3-carbazol-9-ylphenyl)phenyl]-4-(3-cyanocarbazol-9-yl)benzene-1,2-dicarbonitrile
CID 155081614
9-[3-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 154958508
2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)benzonitrile
CID 138653750

Frequently Asked Questions

What is the IUPAC name of 9-[2-[3-(3-carbazol-9-ylphenyl)-2-cyanophenyl]-4-cyanophenyl]carbazole-3-carbonitrile?
The IUPAC name of 9-[2-[3-(3-carbazol-9-ylphenyl)-2-cyanophenyl]-4-cyanophenyl]carbazole-3-carbonitrile (CID 155080249) is 9-[2-[3-(3-carbazol-9-ylphenyl)-2-cyanophenyl]-4-cyanophenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[2-[3-(3-carbazol-9-ylphenyl)-2-cyanophenyl]-4-cyanophenyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[2-[3-(3-carbazol-9-ylphenyl)-2-cyanophenyl]-4-cyanophenyl]carbazole-3-carbonitrile is N#Cc1ccc(-n2c3ccccc3c3cc(C#N)ccc32)c(-c2cccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2C#N)c1.
What is the InChIKey of 9-[2-[3-(3-carbazol-9-ylphenyl)-2-cyanophenyl]-4-cyanophenyl]carbazole-3-carbonitrile?
The InChIKey is GXOODAINVMUMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25N5/c46-26-29-19-21-44(50-43-18-6-3-13-37(43)39-24-30(27-47)20-22-45(39)50)38(23-29)34-15-8-14-33(40(34)28-48)31-9-7-10-32(25-31)49-41-16-4-1-11-35(41)36-12-2-5-17-42(36)49/h1-25H.
What are the key properties of 9-[2-[3-(3-carbazol-9-ylphenyl)-2-cyanophenyl]-4-cyanophenyl]carbazole-3-carbonitrile?
9-[2-[3-(3-carbazol-9-ylphenyl)-2-cyanophenyl]-4-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-[3-(3-carbazol-9-ylphenyl)-2-cyanophenyl]-4-cyanophenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 155080249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).