2,6-diphenyl-4-(4-phenylphenyl)phenol

C30H22O — CID 4591237

IUPAC2,6-diphenyl-4-(4-phenylphenyl)phenol
SMILESOc1c(-c2ccccc2)cc(-c2ccc(-c3ccccc3)cc2)cc1-c1ccccc1
InChIInChI=1S/C30H22O/c31-30-28(25-12-6-2-7-13-25)20-27(21-29(30)26-14-8-3-9-15-26)24-18-16-23(17-19-24)22-10-4-1-5-11-22/h1-21,31H
InChIKeyMKOICNIXFMUWQE-UHFFFAOYSA-N
MW398.51 g/mol
LogP8.06
Rot. Bonds4

About 2,6-diphenyl-4-(4-phenylphenyl)phenol

2,6-diphenyl-4-(4-phenylphenyl)phenol (PubChem CID 4591237) has the molecular formula C30H22O and a molecular weight of 398.51 g/mol. Its IUPAC name is 2,6-diphenyl-4-(4-phenylphenyl)phenol.

Molecular Properties

Compound Name2,6-diphenyl-4-(4-phenylphenyl)phenol
PubChem CID4591237
Molecular FormulaC30H22O
Molecular Weight398.51 g/mol
Exact Mass398.17
IUPAC Name2,6-diphenyl-4-(4-phenylphenyl)phenol
SMILESOc1c(-c2ccccc2)cc(-c2ccc(-c3ccccc3)cc2)cc1-c1ccccc1
InChIInChI=1S/C30H22O/c31-30-28(25-12-6-2-7-13-25)20-27(21-29(30)26-14-8-3-9-15-26)24-18-16-23(17-19-24)22-10-4-1-5-11-22/h1-21,31H
InChIKeyMKOICNIXFMUWQE-UHFFFAOYSA-N
XLogP8.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 58.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Magnolol
CID 72300
Honokiol
CID 72303
9-Phenanthrol
CID 10229
1-Hydroxypyrene
CID 21387
Bisphenol C
CID 6620
4,4'-Isopropylidenedi-2,6-xylol
CID 79717
1,1'-Methylenebis(2-naphthalenol)
CID 14187
1,1,1-Tris(4-hydroxyphenyl)ethane
CID 93118
4,4'-(1-(4-(1-(4-Hydroxyphenyl)-1-methylethyl)phenyl)ethylidene)diphenol
CID 634278
Phenol, 4,4'-cyclohexylidenebis[2-methyl-
CID 75386
3-Phenanthrol
CID 95724
2,4-Dicumylphenol
CID 76013

Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-4-(4-phenylphenyl)phenol?
The IUPAC name of 2,6-diphenyl-4-(4-phenylphenyl)phenol (CID 4591237) is 2,6-diphenyl-4-(4-phenylphenyl)phenol.
What is the SMILES notation for 2,6-diphenyl-4-(4-phenylphenyl)phenol?
The canonical SMILES for 2,6-diphenyl-4-(4-phenylphenyl)phenol is Oc1c(-c2ccccc2)cc(-c2ccc(-c3ccccc3)cc2)cc1-c1ccccc1.
What is the InChIKey of 2,6-diphenyl-4-(4-phenylphenyl)phenol?
The InChIKey is MKOICNIXFMUWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22O/c31-30-28(25-12-6-2-7-13-25)20-27(21-29(30)26-14-8-3-9-15-26)24-18-16-23(17-19-24)22-10-4-1-5-11-22/h1-21,31H.
What are the key properties of 2,6-diphenyl-4-(4-phenylphenyl)phenol?
2,6-diphenyl-4-(4-phenylphenyl)phenol has a molecular weight of 398.51 g/mol, XLogP of 8.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenyl-4-(4-phenylphenyl)phenol is sourced from PubChem (CID 4591237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).