(4-benzhydrylphenyl)-phenylmethanone

C26H20O — CID 13406533

IUPAC(4-benzhydrylphenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H20O/c27-26(23-14-8-3-9-15-23)24-18-16-22(17-19-24)25(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-19,25H
InChIKeyCZZBBWOHDKYMER-UHFFFAOYSA-N
MW348.45 g/mol
LogP6.10
Rot. Bonds5

About (4-benzhydrylphenyl)-phenylmethanone

(4-benzhydrylphenyl)-phenylmethanone (PubChem CID 13406533) has the molecular formula C26H20O and a molecular weight of 348.45 g/mol. Its IUPAC name is (4-benzhydrylphenyl)-phenylmethanone.

Molecular Properties

Compound Name(4-benzhydrylphenyl)-phenylmethanone
PubChem CID13406533
Molecular FormulaC26H20O
Molecular Weight348.45 g/mol
Exact Mass348.15
IUPAC Name(4-benzhydrylphenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H20O/c27-26(23-14-8-3-9-15-23)24-18-16-22(17-19-24)25(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-19,25H
InChIKeyCZZBBWOHDKYMER-UHFFFAOYSA-N
XLogP6.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylphenyl)-phenylmethanone?
The IUPAC name of (4-benzhydrylphenyl)-phenylmethanone (CID 13406533) is (4-benzhydrylphenyl)-phenylmethanone.
What is the SMILES notation for (4-benzhydrylphenyl)-phenylmethanone?
The canonical SMILES for (4-benzhydrylphenyl)-phenylmethanone is O=C(c1ccccc1)c1ccc(C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (4-benzhydrylphenyl)-phenylmethanone?
The InChIKey is CZZBBWOHDKYMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20O/c27-26(23-14-8-3-9-15-23)24-18-16-22(17-19-24)25(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-19,25H.
What are the key properties of (4-benzhydrylphenyl)-phenylmethanone?
(4-benzhydrylphenyl)-phenylmethanone has a molecular weight of 348.45 g/mol, XLogP of 6.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylphenyl)-phenylmethanone is sourced from PubChem (CID 13406533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).