phenyl-[2-(2-phenylphenyl)phenyl]methanone;sulfane

C25H20OS — CID 174608573

IUPACphenyl-[2-(2-phenylphenyl)phenyl]methanone;sulfane
SMILESO=C(c1ccccc1)c1ccccc1-c1ccccc1-c1ccccc1.S
InChIInChI=1S/C25H18O.H2S/c26-25(20-13-5-2-6-14-20)24-18-10-9-17-23(24)22-16-8-7-15-21(22)19-11-3-1-4-12-19;/h1-18H;1H2
InChIKeyBAUULPFBJZJSDX-UHFFFAOYSA-N
MW368.50 g/mol
LogP6.36
Rot. Bonds4

About phenyl-[2-(2-phenylphenyl)phenyl]methanone;sulfane

phenyl-[2-(2-phenylphenyl)phenyl]methanone;sulfane (PubChem CID 174608573) has the molecular formula C25H20OS and a molecular weight of 368.50 g/mol. Its IUPAC name is phenyl-[2-(2-phenylphenyl)phenyl]methanone;sulfane.

Molecular Properties

Compound Namephenyl-[2-(2-phenylphenyl)phenyl]methanone;sulfane
PubChem CID174608573
Molecular FormulaC25H20OS
Molecular Weight368.50 g/mol
Exact Mass368.12
IUPAC Namephenyl-[2-(2-phenylphenyl)phenyl]methanone;sulfane
SMILESO=C(c1ccccc1)c1ccccc1-c1ccccc1-c1ccccc1.S
InChIInChI=1S/C25H18O.H2S/c26-25(20-13-5-2-6-14-20)24-18-10-9-17-23(24)22-16-8-7-15-21(22)19-11-3-1-4-12-19;/h1-18H;1H2
InChIKeyBAUULPFBJZJSDX-UHFFFAOYSA-N
XLogP6.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.50
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 141429590
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[2-[5-hydroxy-2-(4-hydroxyphenyl)phenyl]phenyl]-phenylmethanone
CID 141056080
2-benzoyl-6-phenylbenzoic acid
CID 174388121
phenyl-(3-phenyl-2-sulfanylphenyl)methanone
CID 175169753
[2-(3-chlorophenyl)phenyl]-phenylmethanone
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[2-(2-ethenylphenyl)phenyl]-phenylmethanone
CID 71373352
(3-aminophenyl)-(2-phenylphenyl)methanone
CID 159233114
N-hydroxy-2-(2-phenylphenyl)benzamide
CID 58121046
[2-[5-(2-benzoylphenyl)-4,8-dibromonaphthalen-1-yl]phenyl]-phenylmethanone
CID 166012594
(2-bromophenyl)-phenylmethanone;phenylboronic acid;phenyl-(2-phenylphenyl)methanone
CID 158910738

Frequently Asked Questions

What is the IUPAC name of phenyl-[2-(2-phenylphenyl)phenyl]methanone;sulfane?
The IUPAC name of phenyl-[2-(2-phenylphenyl)phenyl]methanone;sulfane (CID 174608573) is phenyl-[2-(2-phenylphenyl)phenyl]methanone;sulfane.
What is the SMILES notation for phenyl-[2-(2-phenylphenyl)phenyl]methanone;sulfane?
The canonical SMILES for phenyl-[2-(2-phenylphenyl)phenyl]methanone;sulfane is O=C(c1ccccc1)c1ccccc1-c1ccccc1-c1ccccc1.S.
What is the InChIKey of phenyl-[2-(2-phenylphenyl)phenyl]methanone;sulfane?
The InChIKey is BAUULPFBJZJSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18O.H2S/c26-25(20-13-5-2-6-14-20)24-18-10-9-17-23(24)22-16-8-7-15-21(22)19-11-3-1-4-12-19;/h1-18H;1H2.
What are the key properties of phenyl-[2-(2-phenylphenyl)phenyl]methanone;sulfane?
phenyl-[2-(2-phenylphenyl)phenyl]methanone;sulfane has a molecular weight of 368.50 g/mol, XLogP of 6.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[2-(2-phenylphenyl)phenyl]methanone;sulfane is sourced from PubChem (CID 174608573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).