phenyl-[5-[4-(2-phenylphenyl)phenyl]thiophen-3-yl]methanone;sulfane

C29H22OS2 — CID 172747711

IUPACphenyl-[5-[4-(2-phenylphenyl)phenyl]thiophen-3-yl]methanone;sulfane
SMILESO=C(c1ccccc1)c1csc(-c2ccc(-c3ccccc3-c3ccccc3)cc2)c1.S
InChIInChI=1S/C29H20OS.H2S/c30-29(24-11-5-2-6-12-24)25-19-28(31-20-25)23-17-15-22(16-18-23)27-14-8-7-13-26(27)21-9-3-1-4-10-21;/h1-20H;1H2
InChIKeyJYIHHPAPFYHETP-UHFFFAOYSA-N
MW450.63 g/mol
LogP8.09
Rot. Bonds5

About phenyl-[5-[4-(2-phenylphenyl)phenyl]thiophen-3-yl]methanone;sulfane

phenyl-[5-[4-(2-phenylphenyl)phenyl]thiophen-3-yl]methanone;sulfane (PubChem CID 172747711) has the molecular formula C29H22OS2 and a molecular weight of 450.63 g/mol. Its IUPAC name is phenyl-[5-[4-(2-phenylphenyl)phenyl]thiophen-3-yl]methanone;sulfane.

Molecular Properties

Compound Namephenyl-[5-[4-(2-phenylphenyl)phenyl]thiophen-3-yl]methanone;sulfane
PubChem CID172747711
Molecular FormulaC29H22OS2
Molecular Weight450.63 g/mol
Exact Mass450.11
IUPAC Namephenyl-[5-[4-(2-phenylphenyl)phenyl]thiophen-3-yl]methanone;sulfane
SMILESO=C(c1ccccc1)c1csc(-c2ccc(-c3ccccc3-c3ccccc3)cc2)c1.S
InChIInChI=1S/C29H20OS.H2S/c30-29(24-11-5-2-6-12-24)25-19-28(31-20-25)23-17-15-22(16-18-23)27-14-8-7-13-26(27)21-9-3-1-4-10-21;/h1-20H;1H2
InChIKeyJYIHHPAPFYHETP-UHFFFAOYSA-N
XLogP8.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.63
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenyl-[5-[4-(2-phenylphenyl)phenyl]thiophen-3-yl]methanone;sulfane?
The IUPAC name of phenyl-[5-[4-(2-phenylphenyl)phenyl]thiophen-3-yl]methanone;sulfane (CID 172747711) is phenyl-[5-[4-(2-phenylphenyl)phenyl]thiophen-3-yl]methanone;sulfane.
What is the SMILES notation for phenyl-[5-[4-(2-phenylphenyl)phenyl]thiophen-3-yl]methanone;sulfane?
The canonical SMILES for phenyl-[5-[4-(2-phenylphenyl)phenyl]thiophen-3-yl]methanone;sulfane is O=C(c1ccccc1)c1csc(-c2ccc(-c3ccccc3-c3ccccc3)cc2)c1.S.
What is the InChIKey of phenyl-[5-[4-(2-phenylphenyl)phenyl]thiophen-3-yl]methanone;sulfane?
The InChIKey is JYIHHPAPFYHETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20OS.H2S/c30-29(24-11-5-2-6-12-24)25-19-28(31-20-25)23-17-15-22(16-18-23)27-14-8-7-13-26(27)21-9-3-1-4-10-21;/h1-20H;1H2.
What are the key properties of phenyl-[5-[4-(2-phenylphenyl)phenyl]thiophen-3-yl]methanone;sulfane?
phenyl-[5-[4-(2-phenylphenyl)phenyl]thiophen-3-yl]methanone;sulfane has a molecular weight of 450.63 g/mol, XLogP of 8.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[5-[4-(2-phenylphenyl)phenyl]thiophen-3-yl]methanone;sulfane is sourced from PubChem (CID 172747711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).