[3,5-bis(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone

C36H36O3 — CID 118357502

IUPAC[3,5-bis(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cc(C(=O)c3ccc(C(C)(C)C)cc3)cc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1
InChIInChI=1S/C36H36O3/c1-23-8-10-24(11-9-23)32(37)27-20-28(33(38)25-12-16-30(17-13-25)35(2,3)4)22-29(21-27)34(39)26-14-18-31(19-15-26)36(5,6)7/h8-22H,1-7H3
InChIKeySTVPGMOHOMNLEI-UHFFFAOYSA-N
MW516.68 g/mol
LogP8.28
Rot. Bonds6

About [3,5-bis(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone

[3,5-bis(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone (PubChem CID 118357502) has the molecular formula C36H36O3 and a molecular weight of 516.68 g/mol. Its IUPAC name is [3,5-bis(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[3,5-bis(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone
PubChem CID118357502
Molecular FormulaC36H36O3
Molecular Weight516.68 g/mol
Exact Mass516.27
IUPAC Name[3,5-bis(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cc(C(=O)c3ccc(C(C)(C)C)cc3)cc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1
InChIInChI=1S/C36H36O3/c1-23-8-10-24(11-9-23)32(37)27-20-28(33(38)25-12-16-30(17-13-25)35(2,3)4)22-29(21-27)34(39)26-14-18-31(19-15-26)36(5,6)7/h8-22H,1-7H3
InChIKeySTVPGMOHOMNLEI-UHFFFAOYSA-N
XLogP8.28
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.68
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 145339056
[3-[[3,5-bis(4-tert-butylbenzoyl)phenyl]methyl]-5-(4-tert-butylbenzoyl)phenyl]-(4-tert-butylphenyl)methanone
CID 58299012
bis[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl]methanone
CID 22978857
(4-tert-butylphenyl)-(2,4-dimethylphenyl)methanone
CID 43337773
[3-methyl-5-[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone
CID 90132438
1-(4-tert-butylphenyl)-3-(4-methylphenyl)propane-1,3-dione
CID 3096610
(2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanone
CID 81110791
1-tert-butyl-4-methylbenzene
CID 163486601
bis[4-(4-tert-butylphenoxy)phenyl]methanone
CID 130415299
[3,5-bis[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone
CID 139681041
tetrakis(1-tert-butyl-4-methylbenzene);ethane
CID 163240916
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone?
The IUPAC name of [3,5-bis(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone (CID 118357502) is [3,5-bis(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone.
What is the SMILES notation for [3,5-bis(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone?
The canonical SMILES for [3,5-bis(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2cc(C(=O)c3ccc(C(C)(C)C)cc3)cc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1.
What is the InChIKey of [3,5-bis(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone?
The InChIKey is STVPGMOHOMNLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36O3/c1-23-8-10-24(11-9-23)32(37)27-20-28(33(38)25-12-16-30(17-13-25)35(2,3)4)22-29(21-27)34(39)26-14-18-31(19-15-26)36(5,6)7/h8-22H,1-7H3.
What are the key properties of [3,5-bis(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone?
[3,5-bis(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone has a molecular weight of 516.68 g/mol, XLogP of 8.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone is sourced from PubChem (CID 118357502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).