9-phenyl-4-[10-(2-phenyl-[1]benzofuro[6,5-b][1]benzofuran-3-yl)anthracen-9-yl]carbazole

C52H31NO2 — CID 176744301

IUPAC9-phenyl-4-[10-(2-phenyl-[1]benzofuro[6,5-b][1]benzofuran-3-yl)anthracen-9-yl]carbazole
SMILESc1ccc(-c2oc3cc4oc5ccccc5c4cc3c2-c2c3ccccc3c(-c3cccc4c3c3ccccc3n4-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C52H31NO2/c1-3-16-32(17-4-1)52-51(42-30-41-34-20-12-14-29-45(34)54-46(41)31-47(42)55-52)50-37-23-9-7-21-35(37)48(36-22-8-10-24-38(36)50)40-26-15-28-44-49(40)39-25-11-13-27-43(39)53(44)33-18-5-2-6-19-33/h1-31H
InChIKeyAXRGLEFOYUYWMT-UHFFFAOYSA-N
MW701.83 g/mol
LogP14.74
Rot. Bonds4

About 9-phenyl-4-[10-(2-phenyl-[1]benzofuro[6,5-b][1]benzofuran-3-yl)anthracen-9-yl]carbazole

9-phenyl-4-[10-(2-phenyl-[1]benzofuro[6,5-b][1]benzofuran-3-yl)anthracen-9-yl]carbazole (PubChem CID 176744301) has the molecular formula C52H31NO2 and a molecular weight of 701.83 g/mol. Its IUPAC name is 9-phenyl-4-[10-(2-phenyl-[1]benzofuro[6,5-b][1]benzofuran-3-yl)anthracen-9-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-4-[10-(2-phenyl-[1]benzofuro[6,5-b][1]benzofuran-3-yl)anthracen-9-yl]carbazole
PubChem CID176744301
Molecular FormulaC52H31NO2
Molecular Weight701.83 g/mol
Exact Mass701.24
IUPAC Name9-phenyl-4-[10-(2-phenyl-[1]benzofuro[6,5-b][1]benzofuran-3-yl)anthracen-9-yl]carbazole
SMILESc1ccc(-c2oc3cc4oc5ccccc5c4cc3c2-c2c3ccccc3c(-c3cccc4c3c3ccccc3n4-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C52H31NO2/c1-3-16-32(17-4-1)52-51(42-30-41-34-20-12-14-29-45(34)54-46(41)31-47(42)55-52)50-37-23-9-7-21-35(37)48(36-22-8-10-24-38(36)50)40-26-15-28-44-49(40)39-25-11-13-27-43(39)53(44)33-18-5-2-6-19-33/h1-31H
InChIKeyAXRGLEFOYUYWMT-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-(2-phenyl-[1]benzofuro[6,5-b][1]benzofuran-3-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

9-phenyl-3-[10-(2-phenyl-[1]benzofuro[5,6-b][1]benzofuran-1-yl)anthracen-9-yl]carbazole
CID 176743067
3-[10-(1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran-5-yl)anthracen-9-yl]-9-phenylcarbazole
CID 176745675
4-[10-(1,2-diphenyl-[1]benzofuro[3,2-e][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole
CID 176744678
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
9-dibenzofuran-2-yl-3-phenyl-2-(9-phenylcarbazol-4-yl)carbazole
CID 90321522
4-[3-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 146572654
4-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 149044297
9-phenyl-3-[10-[8-(10-phenylanthracen-9-yl)dibenzofuran-1-yl]anthracen-9-yl]carbazole
CID 158086462
4-dibenzofuran-3-yl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122599853
9-phenyl-3-[10-(2-phenyl-[1]benzofuro[3,2-e][1]benzofuran-1-yl)anthracen-9-yl]carbazole
CID 176744439
4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 154602275
4-(9-phenylcarbazol-4-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole
CID 167200557

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-4-[10-(2-phenyl-[1]benzofuro[6,5-b][1]benzofuran-3-yl)anthracen-9-yl]carbazole?
The IUPAC name of 9-phenyl-4-[10-(2-phenyl-[1]benzofuro[6,5-b][1]benzofuran-3-yl)anthracen-9-yl]carbazole (CID 176744301) is 9-phenyl-4-[10-(2-phenyl-[1]benzofuro[6,5-b][1]benzofuran-3-yl)anthracen-9-yl]carbazole.
What is the SMILES notation for 9-phenyl-4-[10-(2-phenyl-[1]benzofuro[6,5-b][1]benzofuran-3-yl)anthracen-9-yl]carbazole?
The canonical SMILES for 9-phenyl-4-[10-(2-phenyl-[1]benzofuro[6,5-b][1]benzofuran-3-yl)anthracen-9-yl]carbazole is c1ccc(-c2oc3cc4oc5ccccc5c4cc3c2-c2c3ccccc3c(-c3cccc4c3c3ccccc3n4-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 9-phenyl-4-[10-(2-phenyl-[1]benzofuro[6,5-b][1]benzofuran-3-yl)anthracen-9-yl]carbazole?
The InChIKey is AXRGLEFOYUYWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31NO2/c1-3-16-32(17-4-1)52-51(42-30-41-34-20-12-14-29-45(34)54-46(41)31-47(42)55-52)50-37-23-9-7-21-35(37)48(36-22-8-10-24-38(36)50)40-26-15-28-44-49(40)39-25-11-13-27-43(39)53(44)33-18-5-2-6-19-33/h1-31H.
What are the key properties of 9-phenyl-4-[10-(2-phenyl-[1]benzofuro[6,5-b][1]benzofuran-3-yl)anthracen-9-yl]carbazole?
9-phenyl-4-[10-(2-phenyl-[1]benzofuro[6,5-b][1]benzofuran-3-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-(2-phenyl-[1]benzofuro[6,5-b][1]benzofuran-3-yl)anthracen-9-yl]carbazole is sourced from PubChem (CID 176744301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).