4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-pyridin-4-ylbenzonitrile

C48H30N4 — CID 164744019

IUPAC4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-pyridin-4-ylbenzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)c(-c5ccccc5)c4)ccc32)c(-c2ccncc2)c1
InChIInChI=1S/C48H30N4/c49-31-32-18-21-46(40(28-32)34-24-26-50-27-25-34)52-45-17-9-6-14-39(45)42-30-36(20-23-48(42)52)35-19-22-47(41(29-35)33-10-2-1-3-11-33)51-43-15-7-4-12-37(43)38-13-5-8-16-44(38)51/h1-30H
InChIKeyKLGHPVCFMIKQQE-UHFFFAOYSA-N
MW662.80 g/mol
LogP12.15
Rot. Bonds5

About 4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-pyridin-4-ylbenzonitrile

4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-pyridin-4-ylbenzonitrile (PubChem CID 164744019) has the molecular formula C48H30N4 and a molecular weight of 662.80 g/mol. Its IUPAC name is 4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-pyridin-4-ylbenzonitrile.

Molecular Properties

Compound Name4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-pyridin-4-ylbenzonitrile
PubChem CID164744019
Molecular FormulaC48H30N4
Molecular Weight662.80 g/mol
Exact Mass662.25
IUPAC Name4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-pyridin-4-ylbenzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)c(-c5ccccc5)c4)ccc32)c(-c2ccncc2)c1
InChIInChI=1S/C48H30N4/c49-31-32-18-21-46(40(28-32)34-24-26-50-27-25-34)52-45-17-9-6-14-39(45)42-30-36(20-23-48(42)52)35-19-22-47(41(29-35)33-10-2-1-3-11-33)51-43-15-7-4-12-37(43)38-13-5-8-16-44(38)51/h1-30H
InChIKeyKLGHPVCFMIKQQE-UHFFFAOYSA-N
XLogP12.15
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.80
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-[2-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-5-cyanophenyl]benzonitrile
CID 167035208
4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-(4,6-diphenylpyrimidin-2-yl)benzonitrile
CID 164744087
4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-(3,5-difluorophenyl)benzonitrile
CID 164743983
4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]carbazol-3-yl]benzonitrile
CID 138579032
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]carbazole-3-carbonitrile
CID 167261854
4-[3-[4-carbazol-9-yl-3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]-3-(4,6-diphenylpyrimidin-2-yl)benzonitrile
CID 164743992
5-[2-[3-[4-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile
CID 164743999
5-[9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138565649
3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 154603109
4-(3-bromocarbazol-9-yl)-3-phenylbenzonitrile
CID 130440793
4-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-3-[2-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzonitrile
CID 164743889
5-[9-[4-cyano-2-[4-[5-cyano-2-[3-(3,5-dicyanophenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138712673

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-pyridin-4-ylbenzonitrile?
The IUPAC name of 4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-pyridin-4-ylbenzonitrile (CID 164744019) is 4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-pyridin-4-ylbenzonitrile.
What is the SMILES notation for 4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-pyridin-4-ylbenzonitrile?
The canonical SMILES for 4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-pyridin-4-ylbenzonitrile is N#Cc1ccc(-n2c3ccccc3c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)c(-c5ccccc5)c4)ccc32)c(-c2ccncc2)c1.
What is the InChIKey of 4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-pyridin-4-ylbenzonitrile?
The InChIKey is KLGHPVCFMIKQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4/c49-31-32-18-21-46(40(28-32)34-24-26-50-27-25-34)52-45-17-9-6-14-39(45)42-30-36(20-23-48(42)52)35-19-22-47(41(29-35)33-10-2-1-3-11-33)51-43-15-7-4-12-37(43)38-13-5-8-16-44(38)51/h1-30H.
What are the key properties of 4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-pyridin-4-ylbenzonitrile?
4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-pyridin-4-ylbenzonitrile has a molecular weight of 662.80 g/mol, XLogP of 12.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-pyridin-4-ylbenzonitrile is sourced from PubChem (CID 164744019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).