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

C45H25N5 — CID 155080699

IUPAC9-[4-[3-(2-carbazol-9-yl-4-cyanophenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5cc(C#N)ccc54)cc3)c2C#N)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C45H25N5/c46-26-29-17-23-44-39(24-29)37-10-3-4-13-41(37)49(44)32-20-18-31(19-21-32)33-11-7-12-34(40(33)28-48)38-22-16-30(27-47)25-45(38)50-42-14-5-1-8-35(42)36-9-2-6-15-43(36)50/h1-25H
InChIKeySSTAHUAKHHXSRI-UHFFFAOYSA-N
MW635.73 g/mol
LogP10.83
Rot. Bonds4

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

9-[4-[3-(2-carbazol-9-yl-4-cyanophenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile (PubChem CID 155080699) has the molecular formula C45H25N5 and a molecular weight of 635.73 g/mol. Its IUPAC name is 9-[4-[3-(2-carbazol-9-yl-4-cyanophenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[4-[3-(2-carbazol-9-yl-4-cyanophenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
PubChem CID155080699
Molecular FormulaC45H25N5
Molecular Weight635.73 g/mol
Exact Mass635.21
IUPAC Name9-[4-[3-(2-carbazol-9-yl-4-cyanophenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5cc(C#N)ccc54)cc3)c2C#N)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C45H25N5/c46-26-29-17-23-44-39(24-29)37-10-3-4-13-41(37)49(44)32-20-18-31(19-21-32)33-11-7-12-34(40(33)28-48)38-22-16-30(27-47)25-45(38)50-42-14-5-1-8-35(42)36-9-2-6-15-43(36)50/h1-25H
InChIKeySSTAHUAKHHXSRI-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-[4-[3-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155079498
2-(2-carbazol-9-yl-5-cyanophenyl)-6-(4-carbazol-9-ylphenyl)benzonitrile
CID 155080419
8-carbazol-9-yl-9-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 154958597
7-carbazol-9-yl-9-[2-(4-carbazol-9-ylphenyl)-5-cyanophenyl]carbazole-3-carbonitrile
CID 154958797
9-[9-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]carbazol-4-yl]carbazole-3-carbonitrile
CID 149264127
9-[4-[2-cyano-3-[2-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155603746
9-[3-[3-(2-carbazol-9-yl-4-cyanophenyl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 167280274
9-[3-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 154958508
9-[4-[2-(2-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile
CID 155080638
3-carbazol-9-yl-6-[4-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,2-dicarbonitrile
CID 155081593
9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 155079786
9-[2-[5-cyano-2-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155081532

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-(2-carbazol-9-yl-4-cyanophenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile?
The IUPAC name of 9-[4-[3-(2-carbazol-9-yl-4-cyanophenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile (CID 155080699) is 9-[4-[3-(2-carbazol-9-yl-4-cyanophenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[4-[3-(2-carbazol-9-yl-4-cyanophenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[4-[3-(2-carbazol-9-yl-4-cyanophenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile is N#Cc1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5cc(C#N)ccc54)cc3)c2C#N)c(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[4-[3-(2-carbazol-9-yl-4-cyanophenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile?
The InChIKey is SSTAHUAKHHXSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25N5/c46-26-29-17-23-44-39(24-29)37-10-3-4-13-41(37)49(44)32-20-18-31(19-21-32)33-11-7-12-34(40(33)28-48)38-22-16-30(27-47)25-45(38)50-42-14-5-1-8-35(42)36-9-2-6-15-43(36)50/h1-25H.
What are the key properties of 9-[4-[3-(2-carbazol-9-yl-4-cyanophenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile?
9-[4-[3-(2-carbazol-9-yl-4-cyanophenyl)-2-cyanophenyl]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-[3-(2-carbazol-9-yl-4-cyanophenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 155080699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).