[5-(4-aminophenoxy)-2-[4-(4-aminophenoxy)-2-(4-methoxybenzoyl)phenyl]phenyl]-(4-methoxyphenyl)methanone

C40H32N2O6 — CID 154631055

IUPAC[5-(4-aminophenoxy)-2-[4-(4-aminophenoxy)-2-(4-methoxybenzoyl)phenyl]phenyl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(Oc3ccc(N)cc3)ccc2-c2ccc(Oc3ccc(N)cc3)cc2C(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C40H32N2O6/c1-45-29-11-3-25(4-12-29)39(43)37-23-33(47-31-15-7-27(41)8-16-31)19-21-35(37)36-22-20-34(48-32-17-9-28(42)10-18-32)24-38(36)40(44)26-5-13-30(46-2)14-6-26/h3-24H,41-42H2,1-2H3
InChIKeyNFDAGGMWHKOJOT-UHFFFAOYSA-N
MW636.70 g/mol
LogP8.58
Rot. Bonds11

About [5-(4-aminophenoxy)-2-[4-(4-aminophenoxy)-2-(4-methoxybenzoyl)phenyl]phenyl]-(4-methoxyphenyl)methanone

[5-(4-aminophenoxy)-2-[4-(4-aminophenoxy)-2-(4-methoxybenzoyl)phenyl]phenyl]-(4-methoxyphenyl)methanone (PubChem CID 154631055) has the molecular formula C40H32N2O6 and a molecular weight of 636.70 g/mol. Its IUPAC name is [5-(4-aminophenoxy)-2-[4-(4-aminophenoxy)-2-(4-methoxybenzoyl)phenyl]phenyl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[5-(4-aminophenoxy)-2-[4-(4-aminophenoxy)-2-(4-methoxybenzoyl)phenyl]phenyl]-(4-methoxyphenyl)methanone
PubChem CID154631055
Molecular FormulaC40H32N2O6
Molecular Weight636.70 g/mol
Exact Mass636.23
IUPAC Name[5-(4-aminophenoxy)-2-[4-(4-aminophenoxy)-2-(4-methoxybenzoyl)phenyl]phenyl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(Oc3ccc(N)cc3)ccc2-c2ccc(Oc3ccc(N)cc3)cc2C(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C40H32N2O6/c1-45-29-11-3-25(4-12-29)39(43)37-23-33(47-31-15-7-27(41)8-16-31)19-21-35(37)36-22-20-34(48-32-17-9-28(42)10-18-32)24-38(36)40(44)26-5-13-30(46-2)14-6-26/h3-24H,41-42H2,1-2H3
InChIKeyNFDAGGMWHKOJOT-UHFFFAOYSA-N
XLogP8.58
TPSA123.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.70
LogP ≤ 58.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[4-[4-(4-aminophenoxy)phenoxy]phenyl]-(4-aminophenyl)methanone
CID 58298849
5-(4-aminophenoxy)-2-[4-(4-aminophenoxy)-2-hydroxyphenyl]benzoic acid
CID 175703106
(4-aminophenyl)-(2-methoxy-5-propan-2-yloxyphenyl)methanone
CID 82265572
[4-[4-[2-(4-aminophenoxy)benzoyl]phenoxy]phenyl]-[2-(4-aminophenoxy)phenyl]methanone
CID 70183152
(4-hydroxyphenyl)-[4-[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]benzoyl]phenyl]methanone
CID 140957067
[4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 20643575
(2-fluoro-5-methoxyphenyl)-(4-methoxyphenyl)methanone
CID 102282476
4-(4-methoxyphenoxy)-2-methylbenzoic acid
CID 22349454
[6-[4-(3-aminophenoxy)benzoyl]naphthalen-2-yl]-[4-(3-aminophenoxy)phenyl]methanone
CID 177406182
[4-[4-(4-methoxybenzoyl)phenoxy]phenyl] hypoiodite
CID 118689697
4-(4-aminophenoxy)-N-methylbenzamide
CID 131636828
4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline;bis(4-aminophenyl)methanone
CID 175338942

Frequently Asked Questions

What is the IUPAC name of [5-(4-aminophenoxy)-2-[4-(4-aminophenoxy)-2-(4-methoxybenzoyl)phenyl]phenyl]-(4-methoxyphenyl)methanone?
The IUPAC name of [5-(4-aminophenoxy)-2-[4-(4-aminophenoxy)-2-(4-methoxybenzoyl)phenyl]phenyl]-(4-methoxyphenyl)methanone (CID 154631055) is [5-(4-aminophenoxy)-2-[4-(4-aminophenoxy)-2-(4-methoxybenzoyl)phenyl]phenyl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [5-(4-aminophenoxy)-2-[4-(4-aminophenoxy)-2-(4-methoxybenzoyl)phenyl]phenyl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [5-(4-aminophenoxy)-2-[4-(4-aminophenoxy)-2-(4-methoxybenzoyl)phenyl]phenyl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2cc(Oc3ccc(N)cc3)ccc2-c2ccc(Oc3ccc(N)cc3)cc2C(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of [5-(4-aminophenoxy)-2-[4-(4-aminophenoxy)-2-(4-methoxybenzoyl)phenyl]phenyl]-(4-methoxyphenyl)methanone?
The InChIKey is NFDAGGMWHKOJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H32N2O6/c1-45-29-11-3-25(4-12-29)39(43)37-23-33(47-31-15-7-27(41)8-16-31)19-21-35(37)36-22-20-34(48-32-17-9-28(42)10-18-32)24-38(36)40(44)26-5-13-30(46-2)14-6-26/h3-24H,41-42H2,1-2H3.
What are the key properties of [5-(4-aminophenoxy)-2-[4-(4-aminophenoxy)-2-(4-methoxybenzoyl)phenyl]phenyl]-(4-methoxyphenyl)methanone?
[5-(4-aminophenoxy)-2-[4-(4-aminophenoxy)-2-(4-methoxybenzoyl)phenyl]phenyl]-(4-methoxyphenyl)methanone has a molecular weight of 636.70 g/mol, XLogP of 8.58, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-aminophenoxy)-2-[4-(4-aminophenoxy)-2-(4-methoxybenzoyl)phenyl]phenyl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 154631055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).