[2-[N-(2-benzoylphenyl)-4-(4-phenoxy-N-(4-phenoxyphenyl)anilino)anilino]phenyl]-phenylmethanone

C56H40N2O4 — CID 122431547

IUPAC[2-[N-(2-benzoylphenyl)-4-(4-phenoxy-N-(4-phenoxyphenyl)anilino)anilino]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1N(c1ccc(N(c2ccc(Oc3ccccc3)cc2)c2ccc(Oc3ccccc3)cc2)cc1)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C56H40N2O4/c59-55(41-17-5-1-6-18-41)51-25-13-15-27-53(51)58(54-28-16-14-26-52(54)56(60)42-19-7-2-8-20-42)46-31-29-43(30-32-46)57(44-33-37-49(38-34-44)61-47-21-9-3-10-22-47)45-35-39-50(40-36-45)62-48-23-11-4-12-24-48/h1-40H
InChIKeyONUQSDBANQCXPH-UHFFFAOYSA-N
MW804.95 g/mol
LogP14.67
Rot. Bonds14

About [2-[N-(2-benzoylphenyl)-4-(4-phenoxy-N-(4-phenoxyphenyl)anilino)anilino]phenyl]-phenylmethanone

[2-[N-(2-benzoylphenyl)-4-(4-phenoxy-N-(4-phenoxyphenyl)anilino)anilino]phenyl]-phenylmethanone (PubChem CID 122431547) has the molecular formula C56H40N2O4 and a molecular weight of 804.95 g/mol. Its IUPAC name is [2-[N-(2-benzoylphenyl)-4-(4-phenoxy-N-(4-phenoxyphenyl)anilino)anilino]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-[N-(2-benzoylphenyl)-4-(4-phenoxy-N-(4-phenoxyphenyl)anilino)anilino]phenyl]-phenylmethanone
PubChem CID122431547
Molecular FormulaC56H40N2O4
Molecular Weight804.95 g/mol
Exact Mass804.30
IUPAC Name[2-[N-(2-benzoylphenyl)-4-(4-phenoxy-N-(4-phenoxyphenyl)anilino)anilino]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1N(c1ccc(N(c2ccc(Oc3ccccc3)cc2)c2ccc(Oc3ccccc3)cc2)cc1)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C56H40N2O4/c59-55(41-17-5-1-6-18-41)51-25-13-15-27-53(51)58(54-28-16-14-26-52(54)56(60)42-19-7-2-8-20-42)46-31-29-43(30-32-46)57(44-33-37-49(38-34-44)61-47-21-9-3-10-22-47)45-35-39-50(40-36-45)62-48-23-11-4-12-24-48/h1-40H
InChIKeyONUQSDBANQCXPH-UHFFFAOYSA-N
XLogP14.67
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.95
LogP ≤ 514.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[N-(2-benzoylphenyl)-4-(4-phenoxy-N-(4-phenoxyphenyl)anilino)anilino]phenyl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
(2-phenoxyphenyl)-phenylmethanone
CID 10802273
ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871
N-acetyl-N-(2-benzoylphenyl)acetamide
CID 23206661
(4-ethoxyphenyl)-[4-[4-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenoxy]phenyl]methanone
CID 71233054
(4-phenoxyphenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 163987169
(4-phenoxyphenyl)-[4-(4-phenoxyphenyl)phenyl]methanone
CID 134445747
4-N-[4-(4-amino-N-(4-phenoxyphenyl)anilino)phenyl]-4-N-(4-phenoxyphenyl)benzene-1,4-diamine
CID 89202314
[3,5-bis(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 11571089
[4-(N-(4-benzoyloxyphenyl)anilino)phenyl] benzoate
CID 163872416
(4-hydroxyphenyl)-[4-[4-[4-(N-(4-methoxyphenyl)-4-phenylanilino)phenyl]phenoxy]phenyl]methanone
CID 71009635
(4-ethoxyphenyl)-[4-[4-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenoxy]phenyl]methanone;phosphane
CID 159786480

Frequently Asked Questions

What is the IUPAC name of [2-[N-(2-benzoylphenyl)-4-(4-phenoxy-N-(4-phenoxyphenyl)anilino)anilino]phenyl]-phenylmethanone?
The IUPAC name of [2-[N-(2-benzoylphenyl)-4-(4-phenoxy-N-(4-phenoxyphenyl)anilino)anilino]phenyl]-phenylmethanone (CID 122431547) is [2-[N-(2-benzoylphenyl)-4-(4-phenoxy-N-(4-phenoxyphenyl)anilino)anilino]phenyl]-phenylmethanone.
What is the SMILES notation for [2-[N-(2-benzoylphenyl)-4-(4-phenoxy-N-(4-phenoxyphenyl)anilino)anilino]phenyl]-phenylmethanone?
The canonical SMILES for [2-[N-(2-benzoylphenyl)-4-(4-phenoxy-N-(4-phenoxyphenyl)anilino)anilino]phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccccc1N(c1ccc(N(c2ccc(Oc3ccccc3)cc2)c2ccc(Oc3ccccc3)cc2)cc1)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of [2-[N-(2-benzoylphenyl)-4-(4-phenoxy-N-(4-phenoxyphenyl)anilino)anilino]phenyl]-phenylmethanone?
The InChIKey is ONUQSDBANQCXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40N2O4/c59-55(41-17-5-1-6-18-41)51-25-13-15-27-53(51)58(54-28-16-14-26-52(54)56(60)42-19-7-2-8-20-42)46-31-29-43(30-32-46)57(44-33-37-49(38-34-44)61-47-21-9-3-10-22-47)45-35-39-50(40-36-45)62-48-23-11-4-12-24-48/h1-40H.
What are the key properties of [2-[N-(2-benzoylphenyl)-4-(4-phenoxy-N-(4-phenoxyphenyl)anilino)anilino]phenyl]-phenylmethanone?
[2-[N-(2-benzoylphenyl)-4-(4-phenoxy-N-(4-phenoxyphenyl)anilino)anilino]phenyl]-phenylmethanone has a molecular weight of 804.95 g/mol, XLogP of 14.67, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[N-(2-benzoylphenyl)-4-(4-phenoxy-N-(4-phenoxyphenyl)anilino)anilino]phenyl]-phenylmethanone is sourced from PubChem (CID 122431547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).