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

C40H30ClNO4 — CID 134924402

IUPAC[4-amino-3-(4-chlorophenyl)-5-(4-methoxybenzoyl)-2,6-diphenylphenyl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(N)c(-c3ccc(Cl)cc3)c(-c3ccccc3)c(C(=O)c3ccc(OC)cc3)c2-c2ccccc2)cc1
InChIInChI=1S/C40H30ClNO4/c1-45-31-21-15-28(16-22-31)39(43)36-33(25-9-5-3-6-10-25)35(27-13-19-30(41)20-14-27)38(42)37(34(36)26-11-7-4-8-12-26)40(44)29-17-23-32(46-2)24-18-29/h3-24H,42H2,1-2H3
InChIKeyJXAJASHFKZOUQV-UHFFFAOYSA-N
MW624.14 g/mol
LogP9.40
Rot. Bonds9

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

[4-amino-3-(4-chlorophenyl)-5-(4-methoxybenzoyl)-2,6-diphenylphenyl]-(4-methoxyphenyl)methanone (PubChem CID 134924402) has the molecular formula C40H30ClNO4 and a molecular weight of 624.14 g/mol. Its IUPAC name is [4-amino-3-(4-chlorophenyl)-5-(4-methoxybenzoyl)-2,6-diphenylphenyl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-amino-3-(4-chlorophenyl)-5-(4-methoxybenzoyl)-2,6-diphenylphenyl]-(4-methoxyphenyl)methanone
PubChem CID134924402
Molecular FormulaC40H30ClNO4
Molecular Weight624.14 g/mol
Exact Mass623.19
IUPAC Name[4-amino-3-(4-chlorophenyl)-5-(4-methoxybenzoyl)-2,6-diphenylphenyl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(N)c(-c3ccc(Cl)cc3)c(-c3ccccc3)c(C(=O)c3ccc(OC)cc3)c2-c2ccccc2)cc1
InChIInChI=1S/C40H30ClNO4/c1-45-31-21-15-28(16-22-31)39(43)36-33(25-9-5-3-6-10-25)35(27-13-19-30(41)20-14-27)38(42)37(34(36)26-11-7-4-8-12-26)40(44)29-17-23-32(46-2)24-18-29/h3-24H,42H2,1-2H3
InChIKeyJXAJASHFKZOUQV-UHFFFAOYSA-N
XLogP9.40
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.14
LogP ≤ 59.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

[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
[4-Amino-3-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-2,6-diphenylphenyl]-(4-methoxyphenyl)methanone
CID 134924490
2-Amino-4-benzoyl-6-(4-chlorophenyl)-5-(4-methoxyphenyl)benzene-1,3-dicarbonitrile
CID 139203800
[2-Amino-6-(4-methoxyphenyl)-4-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-phenylmethanone
CID 10029741
[2-Amino-6-(4-methoxyphenyl)-4-phenyl-3-[2-(trifluoromethyl)phenyl]phenyl]-phenylmethanone
CID 10324482
[2-Amino-3-[3,5-bis(trifluoromethyl)phenyl]-6-(4-methoxyphenyl)-4-phenylphenyl]-phenylmethanone
CID 10461064
3-(4-chlorophenyl)-2-(4-methoxyphenyl)-10H-acridin-9-one
CID 101899780
[2-Amino-5(4-methoxybenzoyl)phenyl](3-chlorophenyl)-methanone
CID 17976112
[3,4-Diamino-2-(4-methoxybenzoyl)naphthalen-1-yl]-(4-methoxyphenyl)methanone
CID 18174476
[5-Amino-4-chloro-2,3-bis(2-methoxybenzoyl)-6-methylphenyl]-(2-methoxyphenyl)methanone
CID 88784643

Frequently Asked Questions

What is the IUPAC name of [4-amino-3-(4-chlorophenyl)-5-(4-methoxybenzoyl)-2,6-diphenylphenyl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-amino-3-(4-chlorophenyl)-5-(4-methoxybenzoyl)-2,6-diphenylphenyl]-(4-methoxyphenyl)methanone (CID 134924402) is [4-amino-3-(4-chlorophenyl)-5-(4-methoxybenzoyl)-2,6-diphenylphenyl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-amino-3-(4-chlorophenyl)-5-(4-methoxybenzoyl)-2,6-diphenylphenyl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-amino-3-(4-chlorophenyl)-5-(4-methoxybenzoyl)-2,6-diphenylphenyl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2c(N)c(-c3ccc(Cl)cc3)c(-c3ccccc3)c(C(=O)c3ccc(OC)cc3)c2-c2ccccc2)cc1.
What is the InChIKey of [4-amino-3-(4-chlorophenyl)-5-(4-methoxybenzoyl)-2,6-diphenylphenyl]-(4-methoxyphenyl)methanone?
The InChIKey is JXAJASHFKZOUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30ClNO4/c1-45-31-21-15-28(16-22-31)39(43)36-33(25-9-5-3-6-10-25)35(27-13-19-30(41)20-14-27)38(42)37(34(36)26-11-7-4-8-12-26)40(44)29-17-23-32(46-2)24-18-29/h3-24H,42H2,1-2H3.
What are the key properties of [4-amino-3-(4-chlorophenyl)-5-(4-methoxybenzoyl)-2,6-diphenylphenyl]-(4-methoxyphenyl)methanone?
[4-amino-3-(4-chlorophenyl)-5-(4-methoxybenzoyl)-2,6-diphenylphenyl]-(4-methoxyphenyl)methanone has a molecular weight of 624.14 g/mol, XLogP of 9.40, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-3-(4-chlorophenyl)-5-(4-methoxybenzoyl)-2,6-diphenylphenyl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 134924402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).