6-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene

C48H30S — CID 118349922

IUPAC6-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene
SMILESc1ccc(-c2ccc(-c3cccc(-c4cccc5c4sc4ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc45)c3)cc2)cc1
InChIInChI=1S/C48H30S/c1-2-10-31(11-3-1)32-20-22-33(23-21-32)34-12-8-13-37(28-34)38-18-9-19-44-46-30-36(25-27-47(46)49-48(38)44)35-24-26-43-41-16-5-4-14-39(41)40-15-6-7-17-42(40)45(43)29-35/h1-30H
InChIKeyADLMZORDBKOCBN-UHFFFAOYSA-N
MW638.84 g/mol
LogP14.18
Rot. Bonds4

About 6-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene

6-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene (PubChem CID 118349922) has the molecular formula C48H30S and a molecular weight of 638.84 g/mol. Its IUPAC name is 6-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene.

Molecular Properties

Compound Name6-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene
PubChem CID118349922
Molecular FormulaC48H30S
Molecular Weight638.84 g/mol
Exact Mass638.21
IUPAC Name6-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene
SMILESc1ccc(-c2ccc(-c3cccc(-c4cccc5c4sc4ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc45)c3)cc2)cc1
InChIInChI=1S/C48H30S/c1-2-10-31(11-3-1)32-20-22-33(23-21-32)34-12-8-13-37(28-34)38-18-9-19-44-46-30-36(25-27-47(46)49-48(38)44)35-24-26-43-41-16-5-4-14-39(41)40-15-6-7-17-42(40)45(43)29-35/h1-30H
InChIKeyADLMZORDBKOCBN-UHFFFAOYSA-N
XLogP14.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.84
LogP ≤ 514.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-[3-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 177115886
2-(7-dibenzothiophen-4-yltriphenylen-2-yl)dibenzothiophene
CID 155401257
4-(3-dibenzothiophen-4-ylphenyl)-6-triphenylen-2-yldibenzothiophene
CID 140940381
CID 159617411
CID 159617411
2-[6-[4-[6-(3-dibenzothiophen-4-ylphenyl)triphenylen-2-yl]-3-(6-phenyldibenzothiophen-4-yl)phenyl]triphenylen-2-yl]-6-triphenylen-2-yldibenzothiophene
CID 134203852
3-[3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-6-triphenylen-2-yldibenzothiophene
CID 134507763
4-[3-[9,10-diphenyl-6-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene
CID 58261884
6-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-2-[6-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophen-1-yl]dibenzothiophene
CID 153066120
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
4-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene
CID 118349921
4-[3-[9-phenyl-10-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene
CID 58261875
3-(4-triphenylen-2-yldibenzothiophen-2-yl)-6-(3-triphenylen-2-ylphenyl)dibenzothiophene
CID 134492219

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene?
The IUPAC name of 6-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene (CID 118349922) is 6-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene.
What is the SMILES notation for 6-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene?
The canonical SMILES for 6-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene is c1ccc(-c2ccc(-c3cccc(-c4cccc5c4sc4ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc45)c3)cc2)cc1.
What is the InChIKey of 6-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene?
The InChIKey is ADLMZORDBKOCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30S/c1-2-10-31(11-3-1)32-20-22-33(23-21-32)34-12-8-13-37(28-34)38-18-9-19-44-46-30-36(25-27-47(46)49-48(38)44)35-24-26-43-41-16-5-4-14-39(41)40-15-6-7-17-42(40)45(43)29-35/h1-30H.
What are the key properties of 6-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene?
6-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene has a molecular weight of 638.84 g/mol, XLogP of 14.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene is sourced from PubChem (CID 118349922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).