1-phenylsulfanylbiphenylene

C18H12S — CID 68821739

IUPAC1-phenylsulfanylbiphenylene
SMILESc1ccc(Sc2cccc3c2-c2ccccc2-3)cc1
InChIInChI=1S/C18H12S/c1-2-7-13(8-3-1)19-17-12-6-11-16-14-9-4-5-10-15(14)18(16)17/h1-12H
InChIKeyCATURWFXJVXNMW-UHFFFAOYSA-N
MW260.36 g/mol
LogP5.49
Rot. Bonds2

About 1-phenylsulfanylbiphenylene

1-phenylsulfanylbiphenylene (PubChem CID 68821739) has the molecular formula C18H12S and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-phenylsulfanylbiphenylene.

Molecular Properties

Compound Name1-phenylsulfanylbiphenylene
PubChem CID68821739
Molecular FormulaC18H12S
Molecular Weight260.36 g/mol
Exact Mass260.07
IUPAC Name1-phenylsulfanylbiphenylene
SMILESc1ccc(Sc2cccc3c2-c2ccccc2-3)cc1
InChIInChI=1S/C18H12S/c1-2-7-13(8-3-1)19-17-12-6-11-16-14-9-4-5-10-15(14)18(16)17/h1-12H
InChIKeyCATURWFXJVXNMW-UHFFFAOYSA-N
XLogP5.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.36
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-aminophenyl)-3-phenylsulfanylaniline
CID 68792613
1-[4-[4-(2,3-diphenylphenyl)sulfanylphenyl]sulfanylphenyl]sulfanyl-2,3-diphenylbenzene
CID 152689266
1-(4-phenylphenyl)sulfanyl-5-phenylsulfanylanthracene-9,10-dione
CID 71414553
1-(4-aminophenyl)sulfanyl-5-phenylsulfanylanthracene-9,10-dione
CID 89229492
4-[2-[2-[2-(4-hydroxyphenyl)sulfanylphenyl]-3-phenylphenyl]phenyl]sulfanylphenol
CID 70593978
2-(4-aminophenyl)-6-phenylsulfanylaniline
CID 68785876
2,6-bis(phenylsulfanyl)benzonitrile
CID 139640767
CID 66690055
CID 66690055
1,2-diethyl-4,5-bis(phenylsulfanyl)anthracene-9,10-dione
CID 18791830
1,3-bis[(3-phenylsulfanylphenyl)sulfanyl]benzene
CID 21413042
1-cyclohexa-2,4-dien-1-ylsulfanyl-8-phenylsulfanylanthracene-9,10-dione
CID 142461028
1-anilino-4-phenylsulfanylanthracene-9,10-dione
CID 154117825

Frequently Asked Questions

What is the IUPAC name of 1-phenylsulfanylbiphenylene?
The IUPAC name of 1-phenylsulfanylbiphenylene (CID 68821739) is 1-phenylsulfanylbiphenylene.
What is the SMILES notation for 1-phenylsulfanylbiphenylene?
The canonical SMILES for 1-phenylsulfanylbiphenylene is c1ccc(Sc2cccc3c2-c2ccccc2-3)cc1.
What is the InChIKey of 1-phenylsulfanylbiphenylene?
The InChIKey is CATURWFXJVXNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12S/c1-2-7-13(8-3-1)19-17-12-6-11-16-14-9-4-5-10-15(14)18(16)17/h1-12H.
What are the key properties of 1-phenylsulfanylbiphenylene?
1-phenylsulfanylbiphenylene has a molecular weight of 260.36 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylsulfanylbiphenylene is sourced from PubChem (CID 68821739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).