9-[4-[4-(3-dibenzofuran-4-yl-6-isocyanocarbazol-9-yl)-2-methylphenyl]-3-methylphenyl]carbazole-3-carbonitrile

C52H32N4O — CID 140850505

IUPAC9-[4-[4-(3-dibenzofuran-4-yl-6-isocyanocarbazol-9-yl)-2-methylphenyl]-3-methylphenyl]carbazole-3-carbonitrile
SMILES[C-]#[N+]c1ccc2c(c1)c1cc(-c3cccc4c3oc3ccccc34)ccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4cc(C#N)ccc43)cc2C)c(C)c1
InChIInChI=1S/C52H32N4O/c1-31-25-36(55-47-13-6-4-9-41(47)44-27-33(30-53)15-22-48(44)55)18-20-38(31)39-21-19-37(26-32(39)2)56-49-23-16-34(28-45(49)46-29-35(54-3)17-24-50(46)56)40-11-8-12-43-42-10-5-7-14-51(42)57-52(40)43/h4-29H,1-2H3
InChIKeyAHYHIWWVGJYIDX-UHFFFAOYSA-N
MW728.86 g/mol
LogP14.15
Rot. Bonds4

About 9-[4-[4-(3-dibenzofuran-4-yl-6-isocyanocarbazol-9-yl)-2-methylphenyl]-3-methylphenyl]carbazole-3-carbonitrile

9-[4-[4-(3-dibenzofuran-4-yl-6-isocyanocarbazol-9-yl)-2-methylphenyl]-3-methylphenyl]carbazole-3-carbonitrile (PubChem CID 140850505) has the molecular formula C52H32N4O and a molecular weight of 728.86 g/mol. Its IUPAC name is 9-[4-[4-(3-dibenzofuran-4-yl-6-isocyanocarbazol-9-yl)-2-methylphenyl]-3-methylphenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[4-[4-(3-dibenzofuran-4-yl-6-isocyanocarbazol-9-yl)-2-methylphenyl]-3-methylphenyl]carbazole-3-carbonitrile
PubChem CID140850505
Molecular FormulaC52H32N4O
Molecular Weight728.86 g/mol
Exact Mass728.26
IUPAC Name9-[4-[4-(3-dibenzofuran-4-yl-6-isocyanocarbazol-9-yl)-2-methylphenyl]-3-methylphenyl]carbazole-3-carbonitrile
SMILES[C-]#[N+]c1ccc2c(c1)c1cc(-c3cccc4c3oc3ccccc34)ccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4cc(C#N)ccc43)cc2C)c(C)c1
InChIInChI=1S/C52H32N4O/c1-31-25-36(55-47-13-6-4-9-41(47)44-27-33(30-53)15-22-48(44)55)18-20-38(31)39-21-19-37(26-32(39)2)56-49-23-16-34(28-45(49)46-29-35(54-3)17-24-50(46)56)40-11-8-12-43-42-10-5-7-14-51(42)57-52(40)43/h4-29H,1-2H3
InChIKeyAHYHIWWVGJYIDX-UHFFFAOYSA-N
XLogP14.15
TPSA51.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.86
LogP ≤ 514.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9-[4-[4-(3-dibenzofuran-4-yl-6-isocyanocarbazol-9-yl)-2-methylphenyl]-3-methylphenyl]carbazole-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[5-(3-dibenzofuran-4-ylcarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile
CID 139303936
9-[3-[2-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 157137099
9-(10-dibenzofuran-4-yl-6,6-dimethylbenzo[d][1,3]benzodioxepin-2-yl)carbazole-3-carbonitrile
CID 121443230
9-[8-(3-isocyanocarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile;3-(2-pyridin-2-ylphenyl)-9-[3-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]carbazole
CID 159338990
9-[4-[3,5-bis(4-carbazol-9-yl-2-methylphenyl)phenyl]phenyl]carbazole;9-[4-[3,5-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]-3,6-dimethylcarbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-(3,6-diisocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 159773784
9-[3-[2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-5-isocyanophenyl]carbazole-3-carbonitrile
CID 140823056
3-(4-carbazol-9-ylphenyl)-6-isocyano-9-naphthalen-2-ylcarbazole;2-dibenzofuran-4-yl-9-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]carbazole;2-dibenzofuran-4-yl-9-[4-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158487434
3-[3-[4-(7-dibenzofuran-4-yl-9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]benzonitrile
CID 129087220
6-isocyano-9-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazole-3-carbonitrile
CID 123627774
3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole
CID 71004884
9-[6,8-di(carbazol-9-yl)dibenzofuran-2-yl]-6-isocyanocarbazole-3-carbonitrile
CID 140850520
3-[4-[4-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 126580295

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(3-dibenzofuran-4-yl-6-isocyanocarbazol-9-yl)-2-methylphenyl]-3-methylphenyl]carbazole-3-carbonitrile?
The IUPAC name of 9-[4-[4-(3-dibenzofuran-4-yl-6-isocyanocarbazol-9-yl)-2-methylphenyl]-3-methylphenyl]carbazole-3-carbonitrile (CID 140850505) is 9-[4-[4-(3-dibenzofuran-4-yl-6-isocyanocarbazol-9-yl)-2-methylphenyl]-3-methylphenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[4-[4-(3-dibenzofuran-4-yl-6-isocyanocarbazol-9-yl)-2-methylphenyl]-3-methylphenyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[4-[4-(3-dibenzofuran-4-yl-6-isocyanocarbazol-9-yl)-2-methylphenyl]-3-methylphenyl]carbazole-3-carbonitrile is [C-]#[N+]c1ccc2c(c1)c1cc(-c3cccc4c3oc3ccccc34)ccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4cc(C#N)ccc43)cc2C)c(C)c1.
What is the InChIKey of 9-[4-[4-(3-dibenzofuran-4-yl-6-isocyanocarbazol-9-yl)-2-methylphenyl]-3-methylphenyl]carbazole-3-carbonitrile?
The InChIKey is AHYHIWWVGJYIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4O/c1-31-25-36(55-47-13-6-4-9-41(47)44-27-33(30-53)15-22-48(44)55)18-20-38(31)39-21-19-37(26-32(39)2)56-49-23-16-34(28-45(49)46-29-35(54-3)17-24-50(46)56)40-11-8-12-43-42-10-5-7-14-51(42)57-52(40)43/h4-29H,1-2H3.
What are the key properties of 9-[4-[4-(3-dibenzofuran-4-yl-6-isocyanocarbazol-9-yl)-2-methylphenyl]-3-methylphenyl]carbazole-3-carbonitrile?
9-[4-[4-(3-dibenzofuran-4-yl-6-isocyanocarbazol-9-yl)-2-methylphenyl]-3-methylphenyl]carbazole-3-carbonitrile has a molecular weight of 728.86 g/mol, XLogP of 14.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-(3-dibenzofuran-4-yl-6-isocyanocarbazol-9-yl)-2-methylphenyl]-3-methylphenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 140850505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).