4-[3-[9-phenyl-10-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene

C50H32S — CID 58261875

IUPAC4-[3-[9-phenyl-10-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene
SMILESc1ccc(-c2cccc(-c3c4ccccc4c(-c4ccccc4)c4cc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)ccc34)c2)cc1
InChIInChI=1S/C50H32S/c1-3-14-33(15-4-1)35-18-12-21-39(31-35)49-43-24-8-7-23-42(43)48(34-16-5-2-6-17-34)46-32-37(28-29-44(46)49)36-19-11-20-38(30-36)40-25-13-26-45-41-22-9-10-27-47(41)51-50(40)45/h1-32H
InChIKeyYWLBVGMIZDGZOH-UHFFFAOYSA-N
MW664.87 g/mol
LogP14.70
Rot. Bonds5

About 4-[3-[9-phenyl-10-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene

4-[3-[9-phenyl-10-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene (PubChem CID 58261875) has the molecular formula C50H32S and a molecular weight of 664.87 g/mol. Its IUPAC name is 4-[3-[9-phenyl-10-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene.

Molecular Properties

Compound Name4-[3-[9-phenyl-10-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene
PubChem CID58261875
Molecular FormulaC50H32S
Molecular Weight664.87 g/mol
Exact Mass664.22
IUPAC Name4-[3-[9-phenyl-10-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene
SMILESc1ccc(-c2cccc(-c3c4ccccc4c(-c4ccccc4)c4cc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)ccc34)c2)cc1
InChIInChI=1S/C50H32S/c1-3-14-33(15-4-1)35-18-12-21-39(31-35)49-43-24-8-7-23-42(43)48(34-16-5-2-6-17-34)46-32-37(28-29-44(46)49)36-19-11-20-38(30-36)40-25-13-26-45-41-22-9-10-27-47(41)51-50(40)45/h1-32H
InChIKeyYWLBVGMIZDGZOH-UHFFFAOYSA-N
XLogP14.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.87
LogP ≤ 514.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[3-[9-phenyl-10-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene 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-[3-[9,10-diphenyl-6-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene
CID 58261884
4-(10-dibenzothiophen-4-yl-2-phenylanthracen-9-yl)dibenzothiophene
CID 58323249
4-[3-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 177115886
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
4-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,6-diphenyldibenzothiophene
CID 58261967
N-(3-dibenzothiophen-4-ylphenyl)-3-(9,10-diphenylphenanthren-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169064842
4-[8-dibenzothiophen-4-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene
CID 155333209
6-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene
CID 118349922
4-(3-dibenzothiophen-4-ylphenyl)-6-triphenylen-2-yldibenzothiophene
CID 140940381
CID 159617411
CID 159617411
5-[10-(3-phenylphenyl)anthracen-9-yl]-16-thiahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaene
CID 147541455
N-(4-dibenzothiophen-4-ylphenyl)-3-(9,10-diphenylphenanthren-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169064173

Frequently Asked Questions

What is the IUPAC name of 4-[3-[9-phenyl-10-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene?
The IUPAC name of 4-[3-[9-phenyl-10-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene (CID 58261875) is 4-[3-[9-phenyl-10-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene.
What is the SMILES notation for 4-[3-[9-phenyl-10-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene?
The canonical SMILES for 4-[3-[9-phenyl-10-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene is c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccccc4)c4cc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)ccc34)c2)cc1.
What is the InChIKey of 4-[3-[9-phenyl-10-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene?
The InChIKey is YWLBVGMIZDGZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32S/c1-3-14-33(15-4-1)35-18-12-21-39(31-35)49-43-24-8-7-23-42(43)48(34-16-5-2-6-17-34)46-32-37(28-29-44(46)49)36-19-11-20-38(30-36)40-25-13-26-45-41-22-9-10-27-47(41)51-50(40)45/h1-32H.
What are the key properties of 4-[3-[9-phenyl-10-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene?
4-[3-[9-phenyl-10-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene has a molecular weight of 664.87 g/mol, XLogP of 14.70, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[9-phenyl-10-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene is sourced from PubChem (CID 58261875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).