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

C48H30S — CID 118349952

IUPAC4-[2-(4-phenylphenyl)phenyl]-6-triphenylen-2-yldibenzothiophene
SMILESc1ccc(-c2ccc(-c3ccccc3-c3cccc4c3sc3c(-c5ccc6c7ccccc7c7ccccc7c6c5)cccc34)cc2)cc1
InChIInChI=1S/C48H30S/c1-2-12-31(13-3-1)32-24-26-33(27-25-32)35-14-4-5-15-37(35)43-21-11-23-45-44-22-10-20-36(47(44)49-48(43)45)34-28-29-42-40-18-7-6-16-38(40)39-17-8-9-19-41(39)46(42)30-34/h1-30H
InChIKeyVBUOZGYTQJGGSV-UHFFFAOYSA-N
MW638.84 g/mol
LogP14.18
Rot. Bonds4

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

4-[2-(4-phenylphenyl)phenyl]-6-triphenylen-2-yldibenzothiophene (PubChem CID 118349952) has the molecular formula C48H30S and a molecular weight of 638.84 g/mol. Its IUPAC name is 4-[2-(4-phenylphenyl)phenyl]-6-triphenylen-2-yldibenzothiophene.

Molecular Properties

Compound Name4-[2-(4-phenylphenyl)phenyl]-6-triphenylen-2-yldibenzothiophene
PubChem CID118349952
Molecular FormulaC48H30S
Molecular Weight638.84 g/mol
Exact Mass638.21
IUPAC Name4-[2-(4-phenylphenyl)phenyl]-6-triphenylen-2-yldibenzothiophene
SMILESc1ccc(-c2ccc(-c3ccccc3-c3cccc4c3sc3c(-c5ccc6c7ccccc7c7ccccc7c6c5)cccc34)cc2)cc1
InChIInChI=1S/C48H30S/c1-2-12-31(13-3-1)32-24-26-33(27-25-32)35-14-4-5-15-37(35)43-21-11-23-45-44-22-10-20-36(47(44)49-48(43)45)34-28-29-42-40-18-7-6-16-38(40)39-17-8-9-19-41(39)46(42)30-34/h1-30H
InChIKeyVBUOZGYTQJGGSV-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-[2-(4-dibenzothiophen-4-yl-2-triphenylen-2-ylphenyl)-5-triphenylen-2-ylphenyl]-6-phenyldibenzothiophene
CID 146655582
3-[3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-6-triphenylen-2-yldibenzothiophene
CID 134507763
6-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene
CID 118349922
2-[2-(6-phenyldibenzothiophen-4-yl)-4-triphenylen-2-ylphenyl]-4-triphenylen-2-yldibenzothiophene
CID 166739913
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
4-(3-dibenzothiophen-4-ylphenyl)-6-triphenylen-2-yldibenzothiophene
CID 140940381
4-[10-[11-(3-dibenzothiophen-4-ylphenyl)triphenylen-2-yl]triphenylen-2-yl]-3-[2-(6-phenyldibenzothiophen-4-yl)-4-triphenylen-2-ylphenyl]dibenzothiophene
CID 155102375
4-phenyl-6-[5-[3-(6-triphenylen-2-yldibenzothiophen-4-yl)phenyl]triphenylen-2-yl]dibenzofuran
CID 123691716
4-[3-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 177115886
2-[3-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyridine
CID 89369500
4-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,6-diphenyldibenzothiophene
CID 58261967
3-(6-phenyldibenzothiophen-4-yl)-9-triphenylen-2-ylcarbazole
CID 87156299

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-phenylphenyl)phenyl]-6-triphenylen-2-yldibenzothiophene?
The IUPAC name of 4-[2-(4-phenylphenyl)phenyl]-6-triphenylen-2-yldibenzothiophene (CID 118349952) is 4-[2-(4-phenylphenyl)phenyl]-6-triphenylen-2-yldibenzothiophene.
What is the SMILES notation for 4-[2-(4-phenylphenyl)phenyl]-6-triphenylen-2-yldibenzothiophene?
The canonical SMILES for 4-[2-(4-phenylphenyl)phenyl]-6-triphenylen-2-yldibenzothiophene is c1ccc(-c2ccc(-c3ccccc3-c3cccc4c3sc3c(-c5ccc6c7ccccc7c7ccccc7c6c5)cccc34)cc2)cc1.
What is the InChIKey of 4-[2-(4-phenylphenyl)phenyl]-6-triphenylen-2-yldibenzothiophene?
The InChIKey is VBUOZGYTQJGGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30S/c1-2-12-31(13-3-1)32-24-26-33(27-25-32)35-14-4-5-15-37(35)43-21-11-23-45-44-22-10-20-36(47(44)49-48(43)45)34-28-29-42-40-18-7-6-16-38(40)39-17-8-9-19-41(39)46(42)30-34/h1-30H.
What are the key properties of 4-[2-(4-phenylphenyl)phenyl]-6-triphenylen-2-yldibenzothiophene?
4-[2-(4-phenylphenyl)phenyl]-6-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-[2-(4-phenylphenyl)phenyl]-6-triphenylen-2-yldibenzothiophene is sourced from PubChem (CID 118349952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).