bis[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl]methanone

C45H42O — CID 22978857

IUPACbis[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl]methanone
SMILESCc1ccc(C(C)(C)c2ccc(-c3ccc(C(=O)c4ccc(-c5ccc(C(C)(C)c6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C45H42O/c1-31-7-23-39(24-8-31)44(3,4)41-27-19-35(20-28-41)33-11-15-37(16-12-33)43(46)38-17-13-34(14-18-38)36-21-29-42(30-22-36)45(5,6)40-25-9-32(2)10-26-40/h7-30H,1-6H3
InChIKeyGIJNRXGRVWBKNZ-UHFFFAOYSA-N
MW598.83 g/mol
LogP11.52
Rot. Bonds8

About bis[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl]methanone

bis[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl]methanone (PubChem CID 22978857) has the molecular formula C45H42O and a molecular weight of 598.83 g/mol. Its IUPAC name is bis[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl]methanone.

Molecular Properties

Compound Namebis[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl]methanone
PubChem CID22978857
Molecular FormulaC45H42O
Molecular Weight598.83 g/mol
Exact Mass598.32
IUPAC Namebis[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl]methanone
SMILESCc1ccc(C(C)(C)c2ccc(-c3ccc(C(=O)c4ccc(-c5ccc(C(C)(C)c6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C45H42O/c1-31-7-23-39(24-8-31)44(3,4)41-27-19-35(20-28-41)33-11-15-37(16-12-33)43(46)38-17-13-34(14-18-38)36-21-29-42(30-22-36)45(5,6)40-25-9-32(2)10-26-40/h7-30H,1-6H3
InChIKeyGIJNRXGRVWBKNZ-UHFFFAOYSA-N
XLogP11.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.83
LogP ≤ 511.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze bis[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl]methanone with MolForge

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Related Compounds

[4-(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 145339056
4-[4-[2-[4-(4-carboxyphenyl)phenyl]propan-2-yl]phenyl]benzoic acid
CID 158031845
ethane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 145481867
[3,5-bis(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 118357502
[4-[2-(4-methylphenyl)propan-2-yl]phenyl] 4-[4-(2-phenylpropan-2-yl)benzoyl]benzoate
CID 20745872
bis(4-methylphenyl)methanone;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 159488601
ethane;[4-[4-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanone
CID 159022602
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
4-[2-(4-carbonobromidoylphenyl)propan-2-yl]benzoyl bromide
CID 139710745
4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenol
CID 58381771
(4-methylphenyl)-[4-[2-(4-methylphenyl)phenyl]phenyl]methanone
CID 175461017
1-[1,1-bis(4-methylphenyl)ethyl]-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 20734477

Frequently Asked Questions

What is the IUPAC name of bis[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl]methanone?
The IUPAC name of bis[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl]methanone (CID 22978857) is bis[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl]methanone.
What is the SMILES notation for bis[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl]methanone?
The canonical SMILES for bis[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl]methanone is Cc1ccc(C(C)(C)c2ccc(-c3ccc(C(=O)c4ccc(-c5ccc(C(C)(C)c6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of bis[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl]methanone?
The InChIKey is GIJNRXGRVWBKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H42O/c1-31-7-23-39(24-8-31)44(3,4)41-27-19-35(20-28-41)33-11-15-37(16-12-33)43(46)38-17-13-34(14-18-38)36-21-29-42(30-22-36)45(5,6)40-25-9-32(2)10-26-40/h7-30H,1-6H3.
What are the key properties of bis[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl]methanone?
bis[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl]methanone has a molecular weight of 598.83 g/mol, XLogP of 11.52, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl]methanone is sourced from PubChem (CID 22978857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).