9-phenyl-4-[10-(1-phenyl-[1]benzofuro[4,5-b][1]benzofuran-9-yl)anthracen-9-yl]carbazole

C52H31NO2 — CID 176744049

IUPAC9-phenyl-4-[10-(1-phenyl-[1]benzofuro[4,5-b][1]benzofuran-9-yl)anthracen-9-yl]carbazole
SMILESc1ccc(-c2coc3ccc4c5cccc(-c6c7ccccc7c(-c7cccc8c7c7ccccc7n8-c7ccccc7)c7ccccc67)c5oc4c23)cc1
InChIInChI=1S/C52H31NO2/c1-3-15-32(16-4-1)43-31-54-46-30-29-39-38-24-13-26-42(51(38)55-52(39)50(43)46)48-36-21-9-7-19-34(36)47(35-20-8-10-22-37(35)48)41-25-14-28-45-49(41)40-23-11-12-27-44(40)53(45)33-17-5-2-6-18-33/h1-31H
InChIKeySODKKQCDFVRLQF-UHFFFAOYSA-N
MW701.83 g/mol
LogP14.74
Rot. Bonds4

About 9-phenyl-4-[10-(1-phenyl-[1]benzofuro[4,5-b][1]benzofuran-9-yl)anthracen-9-yl]carbazole

9-phenyl-4-[10-(1-phenyl-[1]benzofuro[4,5-b][1]benzofuran-9-yl)anthracen-9-yl]carbazole (PubChem CID 176744049) has the molecular formula C52H31NO2 and a molecular weight of 701.83 g/mol. Its IUPAC name is 9-phenyl-4-[10-(1-phenyl-[1]benzofuro[4,5-b][1]benzofuran-9-yl)anthracen-9-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-4-[10-(1-phenyl-[1]benzofuro[4,5-b][1]benzofuran-9-yl)anthracen-9-yl]carbazole
PubChem CID176744049
Molecular FormulaC52H31NO2
Molecular Weight701.83 g/mol
Exact Mass701.24
IUPAC Name9-phenyl-4-[10-(1-phenyl-[1]benzofuro[4,5-b][1]benzofuran-9-yl)anthracen-9-yl]carbazole
SMILESc1ccc(-c2coc3ccc4c5cccc(-c6c7ccccc7c(-c7cccc8c7c7ccccc7n8-c7ccccc7)c7ccccc67)c5oc4c23)cc1
InChIInChI=1S/C52H31NO2/c1-3-15-32(16-4-1)43-31-54-46-30-29-39-38-24-13-26-42(51(38)55-52(39)50(43)46)48-36-21-9-7-19-34(36)47(35-20-8-10-22-37(35)48)41-25-14-28-45-49(41)40-23-11-12-27-44(40)53(45)33-17-5-2-6-18-33/h1-31H
InChIKeySODKKQCDFVRLQF-UHFFFAOYSA-N
XLogP14.74
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.83
LogP ≤ 514.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-phenyl-4-[10-(1-phenyl-[1]benzofuro[4,5-b][1]benzofuran-9-yl)anthracen-9-yl]carbazole 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

4-[10-(1,2-diphenyl-[1]benzofuro[3,2-e][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole
CID 176744678
1-phenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[4,5-b][1]benzofuran
CID 176745098
2-[10-([1]benzofuro[4,5-b][1]benzofuran-1-yl)anthracen-9-yl]-9-phenylcarbazole
CID 176743446
3-[10-[6-[4-[4-(10-dibenzofuran-2-ylanthracen-9-yl)carbazol-9-yl]phenyl]dibenzofuran-2-yl]anthracen-9-yl]-9-phenylcarbazole
CID 170302335
6-phenyl-4-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-b]indole
CID 166872684
10-phenyl-6-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-b]indole
CID 164828310
5-phenyl-11-(4-phenylquinazolin-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 146541874
11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 146541205
10-phenyl-9-[4-(9-phenylcarbazol-4-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164828014
5-(4-dibenzofuran-4-ylphenyl)-[1]benzofuro[3,2-c]carbazole
CID 90225205
4-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran;9-phenyl-4-[2-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-phenyl-4-[3-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazole
CID 165044312
11-(2-carbazol-9-yl-6-methylphenyl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 166739341

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-4-[10-(1-phenyl-[1]benzofuro[4,5-b][1]benzofuran-9-yl)anthracen-9-yl]carbazole?
The IUPAC name of 9-phenyl-4-[10-(1-phenyl-[1]benzofuro[4,5-b][1]benzofuran-9-yl)anthracen-9-yl]carbazole (CID 176744049) is 9-phenyl-4-[10-(1-phenyl-[1]benzofuro[4,5-b][1]benzofuran-9-yl)anthracen-9-yl]carbazole.
What is the SMILES notation for 9-phenyl-4-[10-(1-phenyl-[1]benzofuro[4,5-b][1]benzofuran-9-yl)anthracen-9-yl]carbazole?
The canonical SMILES for 9-phenyl-4-[10-(1-phenyl-[1]benzofuro[4,5-b][1]benzofuran-9-yl)anthracen-9-yl]carbazole is c1ccc(-c2coc3ccc4c5cccc(-c6c7ccccc7c(-c7cccc8c7c7ccccc7n8-c7ccccc7)c7ccccc67)c5oc4c23)cc1.
What is the InChIKey of 9-phenyl-4-[10-(1-phenyl-[1]benzofuro[4,5-b][1]benzofuran-9-yl)anthracen-9-yl]carbazole?
The InChIKey is SODKKQCDFVRLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31NO2/c1-3-15-32(16-4-1)43-31-54-46-30-29-39-38-24-13-26-42(51(38)55-52(39)50(43)46)48-36-21-9-7-19-34(36)47(35-20-8-10-22-37(35)48)41-25-14-28-45-49(41)40-23-11-12-27-44(40)53(45)33-17-5-2-6-18-33/h1-31H.
What are the key properties of 9-phenyl-4-[10-(1-phenyl-[1]benzofuro[4,5-b][1]benzofuran-9-yl)anthracen-9-yl]carbazole?
9-phenyl-4-[10-(1-phenyl-[1]benzofuro[4,5-b][1]benzofuran-9-yl)anthracen-9-yl]carbazole has a molecular weight of 701.83 g/mol, XLogP of 14.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-4-[10-(1-phenyl-[1]benzofuro[4,5-b][1]benzofuran-9-yl)anthracen-9-yl]carbazole is sourced from PubChem (CID 176744049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).