9-[4-[3-(2-carbazol-9-yl-6-cyanophenyl)phenyl]phenyl]carbazole-2,6-dicarbonitrile

C45H25N5 — CID 155081587

IUPAC9-[4-[3-(2-carbazol-9-yl-6-cyanophenyl)phenyl]phenyl]carbazole-2,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1ccc(C#N)cc1n2-c1ccc(-c2cccc(-c3c(C#N)cccc3-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C45H25N5/c46-26-29-16-22-42-39(23-29)38-21-15-30(27-47)24-44(38)49(42)35-19-17-31(18-20-35)32-7-5-8-33(25-32)45-34(28-48)9-6-14-43(45)50-40-12-3-1-10-36(40)37-11-2-4-13-41(37)50/h1-25H
InChIKeyDNEQCVLKMRZCAI-UHFFFAOYSA-N
MW635.73 g/mol
LogP10.83
Rot. Bonds4

About 9-[4-[3-(2-carbazol-9-yl-6-cyanophenyl)phenyl]phenyl]carbazole-2,6-dicarbonitrile

9-[4-[3-(2-carbazol-9-yl-6-cyanophenyl)phenyl]phenyl]carbazole-2,6-dicarbonitrile (PubChem CID 155081587) 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-6-cyanophenyl)phenyl]phenyl]carbazole-2,6-dicarbonitrile.

Molecular Properties

Compound Name9-[4-[3-(2-carbazol-9-yl-6-cyanophenyl)phenyl]phenyl]carbazole-2,6-dicarbonitrile
PubChem CID155081587
Molecular FormulaC45H25N5
Molecular Weight635.73 g/mol
Exact Mass635.21
IUPAC Name9-[4-[3-(2-carbazol-9-yl-6-cyanophenyl)phenyl]phenyl]carbazole-2,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1ccc(C#N)cc1n2-c1ccc(-c2cccc(-c3c(C#N)cccc3-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C45H25N5/c46-26-29-16-22-42-39(23-29)38-21-15-30(27-47)24-44(38)49(42)35-19-17-31(18-20-35)32-7-5-8-33(25-32)45-34(28-48)9-6-14-43(45)50-40-12-3-1-10-36(40)37-11-2-4-13-41(37)50/h1-25H
InChIKeyDNEQCVLKMRZCAI-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-[4-(2-carbazol-9-yl-6-cyanophenyl)phenyl]phenyl]carbazole-2-carbonitrile
CID 155081355
9-[2-[3-(4-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-1,6-dicarbonitrile
CID 155080093
9-[2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 149260154
9-[4-[4-[2-cyano-6-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155604405
9-[2-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-2-carbonitrile
CID 152884793
9-[5-cyano-2-[3-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155079936
3-[3-(4-carbazol-9-ylphenyl)phenyl]-4-(3-cyanocarbazol-9-yl)benzene-1,2-dicarbonitrile
CID 155081553
9-[3-[4-(2-carbazol-9-yl-6-cyanophenyl)phenyl]phenyl]carbazole-1-carbonitrile;9-[3-[4-(2-carbazol-9-yl-6-cyanophenyl)phenyl]phenyl]carbazole-2-carbonitrile;9-[3-[4-(2-carbazol-9-yl-6-cyanophenyl)phenyl]phenyl]carbazole-3-carbonitrile;9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-4-carbonitrile
CID 159235947
8-carbazol-9-yl-9-[4-[3-cyano-4-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-2-carbonitrile
CID 154958974
9-[9-[4-(4-carbazol-9-ylphenyl)-2-cyanophenyl]carbazol-3-yl]carbazole-2-carbonitrile
CID 154958176
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

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-(2-carbazol-9-yl-6-cyanophenyl)phenyl]phenyl]carbazole-2,6-dicarbonitrile?
The IUPAC name of 9-[4-[3-(2-carbazol-9-yl-6-cyanophenyl)phenyl]phenyl]carbazole-2,6-dicarbonitrile (CID 155081587) is 9-[4-[3-(2-carbazol-9-yl-6-cyanophenyl)phenyl]phenyl]carbazole-2,6-dicarbonitrile.
What is the SMILES notation for 9-[4-[3-(2-carbazol-9-yl-6-cyanophenyl)phenyl]phenyl]carbazole-2,6-dicarbonitrile?
The canonical SMILES for 9-[4-[3-(2-carbazol-9-yl-6-cyanophenyl)phenyl]phenyl]carbazole-2,6-dicarbonitrile is N#Cc1ccc2c(c1)c1ccc(C#N)cc1n2-c1ccc(-c2cccc(-c3c(C#N)cccc3-n3c4ccccc4c4ccccc43)c2)cc1.
What is the InChIKey of 9-[4-[3-(2-carbazol-9-yl-6-cyanophenyl)phenyl]phenyl]carbazole-2,6-dicarbonitrile?
The InChIKey is DNEQCVLKMRZCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25N5/c46-26-29-16-22-42-39(23-29)38-21-15-30(27-47)24-44(38)49(42)35-19-17-31(18-20-35)32-7-5-8-33(25-32)45-34(28-48)9-6-14-43(45)50-40-12-3-1-10-36(40)37-11-2-4-13-41(37)50/h1-25H.
What are the key properties of 9-[4-[3-(2-carbazol-9-yl-6-cyanophenyl)phenyl]phenyl]carbazole-2,6-dicarbonitrile?
9-[4-[3-(2-carbazol-9-yl-6-cyanophenyl)phenyl]phenyl]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-[4-[3-(2-carbazol-9-yl-6-cyanophenyl)phenyl]phenyl]carbazole-2,6-dicarbonitrile is sourced from PubChem (CID 155081587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).