3-(1,3-dioxoisoindol-2-yl)-4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile

C51H30N4O2 — CID 163709540

IUPAC3-(1,3-dioxoisoindol-2-yl)-4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccc5)cc4)ccc32)c(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C51H30N4O2/c52-31-32-18-25-48(49(28-32)55-50(56)40-14-4-5-15-41(40)51(55)57)54-45-17-9-7-13-39(45)43-30-36(22-27-47(43)54)35-21-26-46-42(29-35)38-12-6-8-16-44(38)53(46)37-23-19-34(20-24-37)33-10-2-1-3-11-33/h1-30H
InChIKeyKHZGIFFTAPLJDM-UHFFFAOYSA-N
MW730.83 g/mol
LogP11.89
Rot. Bonds5

About 3-(1,3-dioxoisoindol-2-yl)-4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile

3-(1,3-dioxoisoindol-2-yl)-4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile (PubChem CID 163709540) has the molecular formula C51H30N4O2 and a molecular weight of 730.83 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile
PubChem CID163709540
Molecular FormulaC51H30N4O2
Molecular Weight730.83 g/mol
Exact Mass730.24
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccc5)cc4)ccc32)c(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C51H30N4O2/c52-31-32-18-25-48(49(28-32)55-50(56)40-14-4-5-15-41(40)51(55)57)54-45-17-9-7-13-39(45)43-30-36(22-27-47(43)54)35-21-26-46-42(29-35)38-12-6-8-16-44(38)53(46)37-23-19-34(20-24-37)33-10-2-1-3-11-33/h1-30H
InChIKeyKHZGIFFTAPLJDM-UHFFFAOYSA-N
XLogP11.89
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.83
LogP ≤ 511.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-[3,6-bis[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-2-(1,3-dioxoisoindol-2-yl)benzonitrile
CID 163509824
4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 129065173
4-(1,3-dioxoisoindol-2-yl)-3-[14-(4-methylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]benzonitrile
CID 163797951
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
CID 159170044
3-carbazol-9-yl-4-[3-(4-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155081292
4-[2-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile
CID 164744010
6-(4-carbazol-9-ylphenyl)-9-phenylcarbazole-2-carbonitrile
CID 126690271
4-[3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 122418325
4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 118632433
9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 155079786
9-[5-cyano-2-[3-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155079936
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

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile (CID 163709540) is 3-(1,3-dioxoisoindol-2-yl)-4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile is N#Cc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccc5)cc4)ccc32)c(N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile?
The InChIKey is KHZGIFFTAPLJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4O2/c52-31-32-18-25-48(49(28-32)55-50(56)40-14-4-5-15-41(40)51(55)57)54-45-17-9-7-13-39(45)43-30-36(22-27-47(43)54)35-21-26-46-42(29-35)38-12-6-8-16-44(38)53(46)37-23-19-34(20-24-37)33-10-2-1-3-11-33/h1-30H.
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile?
3-(1,3-dioxoisoindol-2-yl)-4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile has a molecular weight of 730.83 g/mol, XLogP of 11.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile is sourced from PubChem (CID 163709540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).