[4-amino-3-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-2,6-diphenylphenyl]-(4-methoxyphenyl)methanone

C41H33NO5 — CID 134924490

IUPAC[4-amino-3-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-2,6-diphenylphenyl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(N)c(-c3ccc(OC)cc3)c(-c3ccccc3)c(C(=O)c3ccc(OC)cc3)c2-c2ccccc2)cc1
InChIInChI=1S/C41H33NO5/c1-45-31-20-14-28(15-21-31)36-34(26-10-6-4-7-11-26)37(40(43)29-16-22-32(46-2)23-17-29)35(27-12-8-5-9-13-27)38(39(36)42)41(44)30-18-24-33(47-3)25-19-30/h4-25H,42H2,1-3H3
InChIKeyUSIYSRGOGOCREF-UHFFFAOYSA-N
MW619.72 g/mol
LogP8.76
Rot. Bonds10

About [4-amino-3-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-2,6-diphenylphenyl]-(4-methoxyphenyl)methanone

[4-amino-3-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-2,6-diphenylphenyl]-(4-methoxyphenyl)methanone (PubChem CID 134924490) has the molecular formula C41H33NO5 and a molecular weight of 619.72 g/mol. Its IUPAC name is [4-amino-3-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-2,6-diphenylphenyl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-amino-3-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-2,6-diphenylphenyl]-(4-methoxyphenyl)methanone
PubChem CID134924490
Molecular FormulaC41H33NO5
Molecular Weight619.72 g/mol
Exact Mass619.24
IUPAC Name[4-amino-3-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-2,6-diphenylphenyl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(N)c(-c3ccc(OC)cc3)c(-c3ccccc3)c(C(=O)c3ccc(OC)cc3)c2-c2ccccc2)cc1
InChIInChI=1S/C41H33NO5/c1-45-31-20-14-28(15-21-31)36-34(26-10-6-4-7-11-26)37(40(43)29-16-22-32(46-2)23-17-29)35(27-12-8-5-9-13-27)38(39(36)42)41(44)30-18-24-33(47-3)25-19-30/h4-25H,42H2,1-3H3
InChIKeyUSIYSRGOGOCREF-UHFFFAOYSA-N
XLogP8.76
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.72
LogP ≤ 58.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[1,8-Bis(dimethylamino)-7-(4-methoxybenzoyl)naphthalen-2-yl]-(4-methoxyphenyl)methanone
CID 134841474
[4-Amino-3-(4-methoxybenzoyl)-2,5,6-triphenylphenyl]-(4-methoxyphenyl)methanone
CID 134924399
[4-Amino-3-benzoyl-5-(4-methoxyphenyl)-2,6-diphenylphenyl]-phenylmethanone
CID 134924403
[4-Amino-3-(4-chlorobenzoyl)-5-(4-methoxyphenyl)-2,6-diphenylphenyl]-(4-chlorophenyl)methanone
CID 134924404
5-Amino-6-(p-methoxybenzoyl)-naphthalene
CID 67495113
2-Amino-5-(3,4-dimethoxybenzoyl)-3-fluoro-4-methylbenzaldehyde
CID 87086281
2-Amino-5-(4-ethoxybenzoyl)-3-fluoro-4-methylbenzaldehyde
CID 87086430
2-Amino-5-(4-methoxyphenyl)-4,6-diphenyl-3-[4-(trifluoromethyl)phenyl]benzoic acid
CID 145193725
1-(4-{2-[4-Amino-3-(4'-octyloxybiphenyl-4-carbonyl)-phenyl]vinyl}phenyl)ethanone
CID 100961971
Methyl 10-amino-6-methoxyphenanthrene-9-carboxylate
CID 101485605
[4-Amino-3-(4-chlorophenyl)-5-(4-methoxybenzoyl)-2,6-diphenylphenyl]-(4-methoxyphenyl)methanone
CID 134924402
Ethyl 1-amino-4-(4-methoxyphenyl)naphthalene-2-carboxylate
CID 134951214

Frequently Asked Questions

What is the IUPAC name of [4-amino-3-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-2,6-diphenylphenyl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-amino-3-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-2,6-diphenylphenyl]-(4-methoxyphenyl)methanone (CID 134924490) is [4-amino-3-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-2,6-diphenylphenyl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-amino-3-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-2,6-diphenylphenyl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-amino-3-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-2,6-diphenylphenyl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2c(N)c(-c3ccc(OC)cc3)c(-c3ccccc3)c(C(=O)c3ccc(OC)cc3)c2-c2ccccc2)cc1.
What is the InChIKey of [4-amino-3-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-2,6-diphenylphenyl]-(4-methoxyphenyl)methanone?
The InChIKey is USIYSRGOGOCREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H33NO5/c1-45-31-20-14-28(15-21-31)36-34(26-10-6-4-7-11-26)37(40(43)29-16-22-32(46-2)23-17-29)35(27-12-8-5-9-13-27)38(39(36)42)41(44)30-18-24-33(47-3)25-19-30/h4-25H,42H2,1-3H3.
What are the key properties of [4-amino-3-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-2,6-diphenylphenyl]-(4-methoxyphenyl)methanone?
[4-amino-3-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-2,6-diphenylphenyl]-(4-methoxyphenyl)methanone has a molecular weight of 619.72 g/mol, XLogP of 8.76, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-3-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-2,6-diphenylphenyl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 134924490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).