2-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole

C49H30N4 — CID 123239087

IUPAC2-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole
SMILES[C-]#[N+]c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc32)c1
InChIInChI=1S/C49H30N4/c1-50-34-29-36(52-45-20-10-5-15-38(45)39-16-6-11-21-46(39)52)31-37(30-34)53-47-22-12-8-18-41(47)43-27-32(24-26-48(43)53)33-23-25-42-40-17-7-9-19-44(40)51(49(42)28-33)35-13-3-2-4-14-35/h2-31H
InChIKeyYYBIOWUTHLGZHV-UHFFFAOYSA-N
MW674.81 g/mol
LogP13.20
Rot. Bonds4

About 2-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole

2-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole (PubChem CID 123239087) has the molecular formula C49H30N4 and a molecular weight of 674.81 g/mol. Its IUPAC name is 2-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole
PubChem CID123239087
Molecular FormulaC49H30N4
Molecular Weight674.81 g/mol
Exact Mass674.25
IUPAC Name2-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole
SMILES[C-]#[N+]c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc32)c1
InChIInChI=1S/C49H30N4/c1-50-34-29-36(52-45-20-10-5-15-38(45)39-16-6-11-21-46(39)52)31-37(30-34)53-47-22-12-8-18-41(47)43-27-32(24-26-48(43)53)33-23-25-42-40-17-7-9-19-44(40)51(49(42)28-33)35-13-3-2-4-14-35/h2-31H
InChIKeyYYBIOWUTHLGZHV-UHFFFAOYSA-N
XLogP13.20
TPSA19.15 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.81
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole 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

2-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole
CID 123269326
2-[9-(2-carbazol-9-yl-4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole
CID 158455093
3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole
CID 137420846
3-[9-(4-isocyanophenyl)carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole
CID 140708240
2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873
3-[9-(4-isocyano-2,6-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 158455091
2-(3,5-diphenylphenyl)-9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;3-[6-[4-[7-(3-isocyano-5-phenylphenyl)-9-phenylcarbazol-3-yl]phenyl]-9-phenylcarbazol-2-yl]-5-phenylbenzonitrile
CID 157208195
6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
CID 126682018
6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
CID 137400811
3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084405
2,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 166037407
3-phenyl-9-[3-(9-phenylcarbazol-2-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492182

Frequently Asked Questions

What is the IUPAC name of 2-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 2-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole (CID 123239087) is 2-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 2-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 2-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole is [C-]#[N+]c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc32)c1.
What is the InChIKey of 2-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is YYBIOWUTHLGZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N4/c1-50-34-29-36(52-45-20-10-5-15-38(45)39-16-6-11-21-46(39)52)31-37(30-34)53-47-22-12-8-18-41(47)43-27-32(24-26-48(43)53)33-23-25-42-40-17-7-9-19-44(40)51(49(42)28-33)35-13-3-2-4-14-35/h2-31H.
What are the key properties of 2-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole?
2-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 674.81 g/mol, XLogP of 13.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 123239087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).