9-[2-[5-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile

C44H26N4 — CID 155079630

IUPAC9-[2-[5-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
SMILESN#Cc1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1-c1ccccc1-n1c2ccccc2c2cccc(C#N)c21
InChIInChI=1S/C44H26N4/c45-27-31-24-23-30(29-11-9-13-33(25-29)47-40-19-5-1-14-34(40)35-15-2-6-20-41(35)47)26-39(31)37-17-4-8-22-43(37)48-42-21-7-3-16-36(42)38-18-10-12-32(28-46)44(38)48/h1-26H
InChIKeyOXNZTSPIYLZVSA-UHFFFAOYSA-N
MW610.72 g/mol
LogP10.96
Rot. Bonds4

About 9-[2-[5-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile

9-[2-[5-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile (PubChem CID 155079630) has the molecular formula C44H26N4 and a molecular weight of 610.72 g/mol. Its IUPAC name is 9-[2-[5-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile.

Molecular Properties

Compound Name9-[2-[5-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
PubChem CID155079630
Molecular FormulaC44H26N4
Molecular Weight610.72 g/mol
Exact Mass610.22
IUPAC Name9-[2-[5-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
SMILESN#Cc1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1-c1ccccc1-n1c2ccccc2c2cccc(C#N)c21
InChIInChI=1S/C44H26N4/c45-27-31-24-23-30(29-11-9-13-33(25-29)47-40-19-5-1-14-34(40)35-15-2-6-20-41(35)47)26-39(31)37-17-4-8-22-43(37)48-42-21-7-3-16-36(42)38-18-10-12-32(28-46)44(38)48/h1-26H
InChIKeyOXNZTSPIYLZVSA-UHFFFAOYSA-N
XLogP10.96
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.72
LogP ≤ 510.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[2-[2-cyano-5-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155081162
9-[2-[5-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1,6-dicarbonitrile
CID 155080273
9-[5-[3-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-1-carbonitrile
CID 152797352
9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-6-cyanophenyl]carbazole-1-carbonitrile
CID 155079672
9-[2-[4-(4-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 155081310
9-[3-[2-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 155079598
9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1-carbonitrile
CID 155080592
9-[2-[4-cyano-2-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155081656
9-[3-[5-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 148501028
9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-1-carbonitrile
CID 155080711
2-[4-(3-carbazol-9-ylphenyl)-3-(2-cyanophenyl)phenyl]benzonitrile
CID 122430955
5-(2-carbazol-9-ylphenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile
CID 155079678

Frequently Asked Questions

What is the IUPAC name of 9-[2-[5-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile?
The IUPAC name of 9-[2-[5-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile (CID 155079630) is 9-[2-[5-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile.
What is the SMILES notation for 9-[2-[5-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile?
The canonical SMILES for 9-[2-[5-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile is N#Cc1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1-c1ccccc1-n1c2ccccc2c2cccc(C#N)c21.
What is the InChIKey of 9-[2-[5-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile?
The InChIKey is OXNZTSPIYLZVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4/c45-27-31-24-23-30(29-11-9-13-33(25-29)47-40-19-5-1-14-34(40)35-15-2-6-20-41(35)47)26-39(31)37-17-4-8-22-43(37)48-42-21-7-3-16-36(42)38-18-10-12-32(28-46)44(38)48/h1-26H.
What are the key properties of 9-[2-[5-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile?
9-[2-[5-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile has a molecular weight of 610.72 g/mol, XLogP of 10.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[5-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile is sourced from PubChem (CID 155079630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).