1-(5-phenylnaphthalen-1-yl)-3-(2-phenylphenyl)-2-benzothiophene

C36H24S — CID 156552708

IUPAC1-(5-phenylnaphthalen-1-yl)-3-(2-phenylphenyl)-2-benzothiophene
SMILESc1ccc(-c2ccccc2-c2sc(-c3cccc4c(-c5ccccc5)cccc34)c3ccccc23)cc1
InChIInChI=1S/C36H24S/c1-3-13-25(14-4-1)27-21-11-23-30-29(27)22-12-24-32(30)36-34-20-10-9-19-33(34)35(37-36)31-18-8-7-17-28(31)26-15-5-2-6-16-26/h1-24H
InChIKeyDDYBFRDOONNMFK-UHFFFAOYSA-N
MW488.66 g/mol
LogP10.72
Rot. Bonds4

About 1-(5-phenylnaphthalen-1-yl)-3-(2-phenylphenyl)-2-benzothiophene

1-(5-phenylnaphthalen-1-yl)-3-(2-phenylphenyl)-2-benzothiophene (PubChem CID 156552708) has the molecular formula C36H24S and a molecular weight of 488.66 g/mol. Its IUPAC name is 1-(5-phenylnaphthalen-1-yl)-3-(2-phenylphenyl)-2-benzothiophene.

Molecular Properties

Compound Name1-(5-phenylnaphthalen-1-yl)-3-(2-phenylphenyl)-2-benzothiophene
PubChem CID156552708
Molecular FormulaC36H24S
Molecular Weight488.66 g/mol
Exact Mass488.16
IUPAC Name1-(5-phenylnaphthalen-1-yl)-3-(2-phenylphenyl)-2-benzothiophene
SMILESc1ccc(-c2ccccc2-c2sc(-c3cccc4c(-c5ccccc5)cccc34)c3ccccc23)cc1
InChIInChI=1S/C36H24S/c1-3-13-25(14-4-1)27-21-11-23-30-29(27)22-12-24-32(30)36-34-20-10-9-19-33(34)35(37-36)31-18-8-7-17-28(31)26-15-5-2-6-16-26/h1-24H
InChIKeyDDYBFRDOONNMFK-UHFFFAOYSA-N
XLogP10.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.66
LogP ≤ 510.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-phenylphenyl)-3-(3-phenylphenyl)-2-benzothiophene
CID 156553110
1-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran
CID 156553127
1-(2,6-diphenylphenyl)-3-triphenylen-1-yl-2-benzothiophene
CID 156553113
2,5-dinaphthalen-1-yl-3,4-diphenylthiophene
CID 23626359
1-(4-phenylphenyl)-3-triphenylen-1-yl-2-benzothiophene
CID 156553324
4-phenyl-3-(3-phenyl-2-benzothiophen-1-yl)pyridine
CID 156553424
1-(5-methyl-2-phenylphenyl)-3-(4-phenylphenyl)-2-benzothiophene
CID 156553677
2,4-diphenyl-1-[3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]imidazole
CID 156553684
1-(5-phenylthiophen-2-yl)-3-[5-[5-[3-(5-phenylthiophen-2-yl)-2-benzothiophen-1-yl]thiophen-2-yl]thiophen-2-yl]-2-benzothiophene
CID 102473044
1-(2,4-diphenylthiophen-3-yl)-3-phenyl-2-benzothiophene
CID 156552741
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene
CID 21043381
9-(2,6-diphenylphenyl)-10-[10-(2,6-diphenylphenyl)anthracen-9-yl]anthracene
CID 140754619

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenylnaphthalen-1-yl)-3-(2-phenylphenyl)-2-benzothiophene?
The IUPAC name of 1-(5-phenylnaphthalen-1-yl)-3-(2-phenylphenyl)-2-benzothiophene (CID 156552708) is 1-(5-phenylnaphthalen-1-yl)-3-(2-phenylphenyl)-2-benzothiophene.
What is the SMILES notation for 1-(5-phenylnaphthalen-1-yl)-3-(2-phenylphenyl)-2-benzothiophene?
The canonical SMILES for 1-(5-phenylnaphthalen-1-yl)-3-(2-phenylphenyl)-2-benzothiophene is c1ccc(-c2ccccc2-c2sc(-c3cccc4c(-c5ccccc5)cccc34)c3ccccc23)cc1.
What is the InChIKey of 1-(5-phenylnaphthalen-1-yl)-3-(2-phenylphenyl)-2-benzothiophene?
The InChIKey is DDYBFRDOONNMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24S/c1-3-13-25(14-4-1)27-21-11-23-30-29(27)22-12-24-32(30)36-34-20-10-9-19-33(34)35(37-36)31-18-8-7-17-28(31)26-15-5-2-6-16-26/h1-24H.
What are the key properties of 1-(5-phenylnaphthalen-1-yl)-3-(2-phenylphenyl)-2-benzothiophene?
1-(5-phenylnaphthalen-1-yl)-3-(2-phenylphenyl)-2-benzothiophene has a molecular weight of 488.66 g/mol, XLogP of 10.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenylnaphthalen-1-yl)-3-(2-phenylphenyl)-2-benzothiophene is sourced from PubChem (CID 156552708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).