bis[3,5-bis(2-phenylphenyl)phenyl]methanone

C61H42O — CID 58240064

IUPACbis[3,5-bis(2-phenylphenyl)phenyl]methanone
SMILESO=C(c1cc(-c2ccccc2-c2ccccc2)cc(-c2ccccc2-c2ccccc2)c1)c1cc(-c2ccccc2-c2ccccc2)cc(-c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C61H42O/c62-61(51-39-47(57-33-17-13-29-53(57)43-21-5-1-6-22-43)37-48(40-51)58-34-18-14-30-54(58)44-23-7-2-8-24-44)52-41-49(59-35-19-15-31-55(59)45-25-9-3-10-26-45)38-50(42-52)60-36-20-16-32-56(60)46-27-11-4-12-28-46/h1-42H
InChIKeyOMHTWGGVOWANFW-UHFFFAOYSA-N
MW791.01 g/mol
LogP16.25
Rot. Bonds10

About bis[3,5-bis(2-phenylphenyl)phenyl]methanone

bis[3,5-bis(2-phenylphenyl)phenyl]methanone (PubChem CID 58240064) has the molecular formula C61H42O and a molecular weight of 791.01 g/mol. Its IUPAC name is bis[3,5-bis(2-phenylphenyl)phenyl]methanone.

Molecular Properties

Compound Namebis[3,5-bis(2-phenylphenyl)phenyl]methanone
PubChem CID58240064
Molecular FormulaC61H42O
Molecular Weight791.01 g/mol
Exact Mass790.32
IUPAC Namebis[3,5-bis(2-phenylphenyl)phenyl]methanone
SMILESO=C(c1cc(-c2ccccc2-c2ccccc2)cc(-c2ccccc2-c2ccccc2)c1)c1cc(-c2ccccc2-c2ccccc2)cc(-c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C61H42O/c62-61(51-39-47(57-33-17-13-29-53(57)43-21-5-1-6-22-43)37-48(40-51)58-34-18-14-30-54(58)44-23-7-2-8-24-44)52-41-49(59-35-19-15-31-55(59)45-25-9-3-10-26-45)38-50(42-52)60-36-20-16-32-56(60)46-27-11-4-12-28-46/h1-42H
InChIKeyOMHTWGGVOWANFW-UHFFFAOYSA-N
XLogP16.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.01
LogP ≤ 516.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze bis[3,5-bis(2-phenylphenyl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis[3-(3,5-diphenylphenyl)-5-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]methanone
CID 58299054
[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-(3,5-diphenylphenyl)methanone
CID 58299161
tricyclo[6.6.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene
CID 101119071
4-(2-phenylphenyl)benzoyl chloride
CID 141290738
(4-methylphenyl)-[4-[2-(4-methylphenyl)phenyl]phenyl]methanone
CID 175461017
phenyl-[2-(2-phenylphenyl)phenyl]methanone;sulfane
CID 174608573
phenyl-[5-[4-(2-phenylphenyl)phenyl]thiophen-3-yl]methanone;sulfane
CID 172747711
2-[3,5-bis(2-carboxyphenyl)phenyl]benzoic acid
CID 21428532
bis[3,5-bis(3,5-diphenoxyphenyl)phenyl]methanone
CID 58240025
phenyl-(2,4,6-triphenylphenyl)methanone
CID 3631606
1-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]ethanone
CID 126639001
bis[3,5-bis(4-phenylnaphthalen-1-yl)phenyl]methanone;bis[3,5-bis(3-pyrazin-2-ylphenyl)phenyl]methanone;bis[3,5-bis(2-pyridin-2-ylphenyl)phenyl]methanone;bis[3-(3,5-diphenylphenyl)-5-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]methanone;bis(3,5-dipyridin-2-ylphenyl)methanone
CID 158144360

Frequently Asked Questions

What is the IUPAC name of bis[3,5-bis(2-phenylphenyl)phenyl]methanone?
The IUPAC name of bis[3,5-bis(2-phenylphenyl)phenyl]methanone (CID 58240064) is bis[3,5-bis(2-phenylphenyl)phenyl]methanone.
What is the SMILES notation for bis[3,5-bis(2-phenylphenyl)phenyl]methanone?
The canonical SMILES for bis[3,5-bis(2-phenylphenyl)phenyl]methanone is O=C(c1cc(-c2ccccc2-c2ccccc2)cc(-c2ccccc2-c2ccccc2)c1)c1cc(-c2ccccc2-c2ccccc2)cc(-c2ccccc2-c2ccccc2)c1.
What is the InChIKey of bis[3,5-bis(2-phenylphenyl)phenyl]methanone?
The InChIKey is OMHTWGGVOWANFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42O/c62-61(51-39-47(57-33-17-13-29-53(57)43-21-5-1-6-22-43)37-48(40-51)58-34-18-14-30-54(58)44-23-7-2-8-24-44)52-41-49(59-35-19-15-31-55(59)45-25-9-3-10-26-45)38-50(42-52)60-36-20-16-32-56(60)46-27-11-4-12-28-46/h1-42H.
What are the key properties of bis[3,5-bis(2-phenylphenyl)phenyl]methanone?
bis[3,5-bis(2-phenylphenyl)phenyl]methanone has a molecular weight of 791.01 g/mol, XLogP of 16.25, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3,5-bis(2-phenylphenyl)phenyl]methanone is sourced from PubChem (CID 58240064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).