[5-[4-[4-[3-benzoyl-2,6-dimethyl-4-(2-methylphenyl)-3,4-dihydropyridin-5-yl]benzoyl]phenyl]-2,6-dimethyl-4-(2-methylphenyl)-3,4-dihydropyridin-3-yl]-phenylmethanone

C55H48N2O3 — CID 90742351

IUPAC[5-[4-[4-[3-benzoyl-2,6-dimethyl-4-(2-methylphenyl)-3,4-dihydropyridin-5-yl]benzoyl]phenyl]-2,6-dimethyl-4-(2-methylphenyl)-3,4-dihydropyridin-3-yl]-phenylmethanone
SMILESCC1=NC(C)=C(c2ccc(C(=O)c3ccc(C4=C(C)N=C(C)C(C(=O)c5ccccc5)C4c4ccccc4C)cc3)cc2)C(c2ccccc2C)C1C(=O)c1ccccc1
InChIInChI=1S/C55H48N2O3/c1-33-17-13-15-23-45(33)51-47(35(3)56-37(5)49(51)54(59)41-19-9-7-10-20-41)39-25-29-43(30-26-39)53(58)44-31-27-40(28-32-44)48-36(4)57-38(6)50(55(60)42-21-11-8-12-22-42)52(48)46-24-16-14-18-34(46)2/h7-32,49-52H,1-6H3
InChIKeySXGHKKBYZZMDBZ-UHFFFAOYSA-N
MW785.00 g/mol
LogP12.51
Rot. Bonds10

About [5-[4-[4-[3-benzoyl-2,6-dimethyl-4-(2-methylphenyl)-3,4-dihydropyridin-5-yl]benzoyl]phenyl]-2,6-dimethyl-4-(2-methylphenyl)-3,4-dihydropyridin-3-yl]-phenylmethanone

[5-[4-[4-[3-benzoyl-2,6-dimethyl-4-(2-methylphenyl)-3,4-dihydropyridin-5-yl]benzoyl]phenyl]-2,6-dimethyl-4-(2-methylphenyl)-3,4-dihydropyridin-3-yl]-phenylmethanone (PubChem CID 90742351) has the molecular formula C55H48N2O3 and a molecular weight of 785.00 g/mol. Its IUPAC name is [5-[4-[4-[3-benzoyl-2,6-dimethyl-4-(2-methylphenyl)-3,4-dihydropyridin-5-yl]benzoyl]phenyl]-2,6-dimethyl-4-(2-methylphenyl)-3,4-dihydropyridin-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-[4-[4-[3-benzoyl-2,6-dimethyl-4-(2-methylphenyl)-3,4-dihydropyridin-5-yl]benzoyl]phenyl]-2,6-dimethyl-4-(2-methylphenyl)-3,4-dihydropyridin-3-yl]-phenylmethanone
PubChem CID90742351
Molecular FormulaC55H48N2O3
Molecular Weight785.00 g/mol
Exact Mass784.37
IUPAC Name[5-[4-[4-[3-benzoyl-2,6-dimethyl-4-(2-methylphenyl)-3,4-dihydropyridin-5-yl]benzoyl]phenyl]-2,6-dimethyl-4-(2-methylphenyl)-3,4-dihydropyridin-3-yl]-phenylmethanone
SMILESCC1=NC(C)=C(c2ccc(C(=O)c3ccc(C4=C(C)N=C(C)C(C(=O)c5ccccc5)C4c4ccccc4C)cc3)cc2)C(c2ccccc2C)C1C(=O)c1ccccc1
InChIInChI=1S/C55H48N2O3/c1-33-17-13-15-23-45(33)51-47(35(3)56-37(5)49(51)54(59)41-19-9-7-10-20-41)39-25-29-43(30-26-39)53(58)44-31-27-40(28-32-44)48-36(4)57-38(6)50(55(60)42-21-11-8-12-22-42)52(48)46-24-16-14-18-34(46)2/h7-32,49-52H,1-6H3
InChIKeySXGHKKBYZZMDBZ-UHFFFAOYSA-N
XLogP12.51
TPSA75.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.00
LogP ≤ 512.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-[4-[4-[3-benzoyl-2,6-dimethyl-4-(2-methylphenyl)-3,4-dihydropyridin-5-yl]benzoyl]phenyl]-2,6-dimethyl-4-(2-methylphenyl)-3,4-dihydropyridin-3-yl]-phenylmethanone with MolForge

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Related Compounds

(10E)-10-(benzhydrylidenehydrazinylidene)phenanthren-9-one
CID 5834467
(2Z,4Z)-1,2,5,6-tetrakis(4-methylphenyl)-3,4-diazahexa-2,4-diene-1,6-dione
CID 43835762
(5-Benzoyl-2,6-dimethyl-4-phenyl-3,4-dihydropyridin-3-yl)-phenylmethanone
CID 74692587
2-[[2-[[2-[(2-Oxo-1,2-diphenylethylidene)hydrazinylidene]-1,2-diphenylethylidene]hydrazinylidene]-1,2-diphenylethylidene]hydrazinylidene]-1,2-diphenylethanone
CID 91614425
2-methyl-1,4,6,7,8,9-hexakis-phenyl-2H-phenanthridin-3-one
CID 123334022
Diphenylethylene-bis-(5-imino-1-phenyl-1,3-hexanedione)
CID 129708387
10-(2,2-Diphenylethenylimino)phenanthren-9-one
CID 134852503
(5E)-5-hydroxyimino-3-(4-methylphenyl)-1,4,5-triphenylpentan-1-one
CID 134867606
[(4S)-5-benzoyl-4-(2-fluorophenyl)-2,6-dimethyl-3,4-dihydropyridin-3-yl]-phenylmethanone
CID 7222390
1-[4-[4-[[3-(3-fluoro-2,4-dimethylphenyl)-3aH-indol-7-yl]methyl]-2-methylbenzoyl]cyclohexyl]propan-1-one
CID 153611728
3-[3-[(3-Oxo-1,3-diphenylpropylidene)amino]propylimino]-1,3-diphenylpropan-1-one
CID 329413
3-[2-[(3-Oxo-1,3-diphenylpropylidene)amino]ethylimino]-1,3-diphenylpropan-1-one
CID 329414

Frequently Asked Questions

What is the IUPAC name of [5-[4-[4-[3-benzoyl-2,6-dimethyl-4-(2-methylphenyl)-3,4-dihydropyridin-5-yl]benzoyl]phenyl]-2,6-dimethyl-4-(2-methylphenyl)-3,4-dihydropyridin-3-yl]-phenylmethanone?
The IUPAC name of [5-[4-[4-[3-benzoyl-2,6-dimethyl-4-(2-methylphenyl)-3,4-dihydropyridin-5-yl]benzoyl]phenyl]-2,6-dimethyl-4-(2-methylphenyl)-3,4-dihydropyridin-3-yl]-phenylmethanone (CID 90742351) is [5-[4-[4-[3-benzoyl-2,6-dimethyl-4-(2-methylphenyl)-3,4-dihydropyridin-5-yl]benzoyl]phenyl]-2,6-dimethyl-4-(2-methylphenyl)-3,4-dihydropyridin-3-yl]-phenylmethanone.
What is the SMILES notation for [5-[4-[4-[3-benzoyl-2,6-dimethyl-4-(2-methylphenyl)-3,4-dihydropyridin-5-yl]benzoyl]phenyl]-2,6-dimethyl-4-(2-methylphenyl)-3,4-dihydropyridin-3-yl]-phenylmethanone?
The canonical SMILES for [5-[4-[4-[3-benzoyl-2,6-dimethyl-4-(2-methylphenyl)-3,4-dihydropyridin-5-yl]benzoyl]phenyl]-2,6-dimethyl-4-(2-methylphenyl)-3,4-dihydropyridin-3-yl]-phenylmethanone is CC1=NC(C)=C(c2ccc(C(=O)c3ccc(C4=C(C)N=C(C)C(C(=O)c5ccccc5)C4c4ccccc4C)cc3)cc2)C(c2ccccc2C)C1C(=O)c1ccccc1.
What is the InChIKey of [5-[4-[4-[3-benzoyl-2,6-dimethyl-4-(2-methylphenyl)-3,4-dihydropyridin-5-yl]benzoyl]phenyl]-2,6-dimethyl-4-(2-methylphenyl)-3,4-dihydropyridin-3-yl]-phenylmethanone?
The InChIKey is SXGHKKBYZZMDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H48N2O3/c1-33-17-13-15-23-45(33)51-47(35(3)56-37(5)49(51)54(59)41-19-9-7-10-20-41)39-25-29-43(30-26-39)53(58)44-31-27-40(28-32-44)48-36(4)57-38(6)50(55(60)42-21-11-8-12-22-42)52(48)46-24-16-14-18-34(46)2/h7-32,49-52H,1-6H3.
What are the key properties of [5-[4-[4-[3-benzoyl-2,6-dimethyl-4-(2-methylphenyl)-3,4-dihydropyridin-5-yl]benzoyl]phenyl]-2,6-dimethyl-4-(2-methylphenyl)-3,4-dihydropyridin-3-yl]-phenylmethanone?
[5-[4-[4-[3-benzoyl-2,6-dimethyl-4-(2-methylphenyl)-3,4-dihydropyridin-5-yl]benzoyl]phenyl]-2,6-dimethyl-4-(2-methylphenyl)-3,4-dihydropyridin-3-yl]-phenylmethanone has a molecular weight of 785.00 g/mol, XLogP of 12.51, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-[4-[3-benzoyl-2,6-dimethyl-4-(2-methylphenyl)-3,4-dihydropyridin-5-yl]benzoyl]phenyl]-2,6-dimethyl-4-(2-methylphenyl)-3,4-dihydropyridin-3-yl]-phenylmethanone is sourced from PubChem (CID 90742351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).