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

C48H30S — CID 118349921

IUPAC4-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene
SMILESc1ccc(-c2ccc(-c3cccc(-c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc5c4sc4ccccc45)c3)cc2)cc1
InChIInChI=1S/C48H30S/c1-2-11-31(12-3-1)32-21-23-33(24-22-32)34-13-10-14-36(27-34)44-29-37(30-46-43-19-8-9-20-47(43)49-48(44)46)35-25-26-42-40-17-5-4-15-38(40)39-16-6-7-18-41(39)45(42)28-35/h1-30H
InChIKeySXCPMNYLZGDLQF-UHFFFAOYSA-N
MW638.84 g/mol
LogP14.18
Rot. Bonds4

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

4-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene (PubChem CID 118349921) has the molecular formula C48H30S and a molecular weight of 638.84 g/mol. Its IUPAC name is 4-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene.

Molecular Properties

Compound Name4-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene
PubChem CID118349921
Molecular FormulaC48H30S
Molecular Weight638.84 g/mol
Exact Mass638.21
IUPAC Name4-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene
SMILESc1ccc(-c2ccc(-c3cccc(-c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc5c4sc4ccccc45)c3)cc2)cc1
InChIInChI=1S/C48H30S/c1-2-11-31(12-3-1)32-21-23-33(24-22-32)34-13-10-14-36(27-34)44-29-37(30-46-43-19-8-9-20-47(43)49-48(44)46)35-25-26-42-40-17-5-4-15-38(40)39-16-6-7-18-41(39)45(42)28-35/h1-30H
InChIKeySXCPMNYLZGDLQF-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

3-(4-triphenylen-2-yldibenzothiophen-2-yl)-6-(3-triphenylen-2-ylphenyl)dibenzothiophene
CID 134492219
4-[3-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 177115886
4-phenyl-2,8-bis(3-phenylphenyl)dibenzothiophene
CID 141356979
6-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene
CID 118349922
CID 159617411
CID 159617411
4-(3-dibenzothiophen-4-ylphenyl)-6-triphenylen-2-yldibenzothiophene
CID 140940381
2-[2-(6-phenyldibenzothiophen-4-yl)-4-triphenylen-2-ylphenyl]-4-triphenylen-2-yldibenzothiophene
CID 166739913
4-[3-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzothiophen-4-yl]phenyl]-2,6-diphenylpyrimidine
CID 153289591
6,11-bis[3-(2,8-diphenyldibenzothiophen-4-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 89417069
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
2,7-bis(2,8-diphenyldibenzothiophen-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole
CID 87156288
4-[3-[9,10-diphenyl-6-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene
CID 58261884

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene?
The IUPAC name of 4-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene (CID 118349921) is 4-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene.
What is the SMILES notation for 4-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene?
The canonical SMILES for 4-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene is c1ccc(-c2ccc(-c3cccc(-c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc5c4sc4ccccc45)c3)cc2)cc1.
What is the InChIKey of 4-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene?
The InChIKey is SXCPMNYLZGDLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30S/c1-2-11-31(12-3-1)32-21-23-33(24-22-32)34-13-10-14-36(27-34)44-29-37(30-46-43-19-8-9-20-47(43)49-48(44)46)35-25-26-42-40-17-5-4-15-38(40)39-16-6-7-18-41(39)45(42)28-35/h1-30H.
What are the key properties of 4-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene?
4-[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 4-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene is sourced from PubChem (CID 118349921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).