[4-(3-aminophenoxy)phenyl]-[3,5-bis[4-(3-aminophenoxy)benzoyl]phenyl]methanone

C45H33N3O6 — CID 102447265

IUPAC[4-(3-aminophenoxy)phenyl]-[3,5-bis[4-(3-aminophenoxy)benzoyl]phenyl]methanone
SMILESNc1cccc(Oc2ccc(C(=O)c3cc(C(=O)c4ccc(Oc5cccc(N)c5)cc4)cc(C(=O)c4ccc(Oc5cccc(N)c5)cc4)c3)cc2)c1
InChIInChI=1S/C45H33N3O6/c46-34-4-1-7-40(25-34)52-37-16-10-28(11-17-37)43(49)31-22-32(44(50)29-12-18-38(19-13-29)53-41-8-2-5-35(47)26-41)24-33(23-31)45(51)30-14-20-39(21-15-30)54-42-9-3-6-36(48)27-42/h1-27H,46-48H2
InChIKeyAUEOXMSCCGVYLS-UHFFFAOYSA-N
MW711.77 g/mol
LogP9.50
Rot. Bonds12

About [4-(3-aminophenoxy)phenyl]-[3,5-bis[4-(3-aminophenoxy)benzoyl]phenyl]methanone

[4-(3-aminophenoxy)phenyl]-[3,5-bis[4-(3-aminophenoxy)benzoyl]phenyl]methanone (PubChem CID 102447265) has the molecular formula C45H33N3O6 and a molecular weight of 711.77 g/mol. Its IUPAC name is [4-(3-aminophenoxy)phenyl]-[3,5-bis[4-(3-aminophenoxy)benzoyl]phenyl]methanone.

Molecular Properties

Compound Name[4-(3-aminophenoxy)phenyl]-[3,5-bis[4-(3-aminophenoxy)benzoyl]phenyl]methanone
PubChem CID102447265
Molecular FormulaC45H33N3O6
Molecular Weight711.77 g/mol
Exact Mass711.24
IUPAC Name[4-(3-aminophenoxy)phenyl]-[3,5-bis[4-(3-aminophenoxy)benzoyl]phenyl]methanone
SMILESNc1cccc(Oc2ccc(C(=O)c3cc(C(=O)c4ccc(Oc5cccc(N)c5)cc4)cc(C(=O)c4ccc(Oc5cccc(N)c5)cc4)c3)cc2)c1
InChIInChI=1S/C45H33N3O6/c46-34-4-1-7-40(25-34)52-37-16-10-28(11-17-37)43(49)31-22-32(44(50)29-12-18-38(19-13-29)53-41-8-2-5-35(47)26-41)24-33(23-31)45(51)30-14-20-39(21-15-30)54-42-9-3-6-36(48)27-42/h1-27H,46-48H2
InChIKeyAUEOXMSCCGVYLS-UHFFFAOYSA-N
XLogP9.50
TPSA156.96 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.77
LogP ≤ 59.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze [4-(3-aminophenoxy)phenyl]-[3,5-bis[4-(3-aminophenoxy)benzoyl]phenyl]methanone with MolForge

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Related Compounds

[6-[4-(3-aminophenoxy)benzoyl]naphthalen-2-yl]-[4-(3-aminophenoxy)phenyl]methanone
CID 177406182
[3,5-bis(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 11571089
bis[4-[3-[2-(3-aminophenyl)propan-2-yl]phenoxy]phenyl]methanone
CID 22415190
3-[3-[4-[4-[4-[4-[3-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338635
4-(3-aminophenoxy)-N-[4-(3-aminophenoxy)phenyl]benzamide
CID 141323890
3-[4-(4-aminophenoxy)phenoxy]aniline
CID 22184043
[4-[4-(4-aminophenoxy)phenoxy]phenyl]-(4-aminophenyl)methanone
CID 58298849
benzene-1,3-diamine;4-(4-carboxyphenoxy)benzoic acid
CID 67851830
[4-[3-[4-(4-methylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 90192164
bis[4-(3-bromophenoxy)phenyl]methanone
CID 22494465
3-(3-phenoxyphenoxy)aniline
CID 68727404
3-[3,5-bis(3-aminophenoxy)phenoxy]aniline
CID 19698881

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminophenoxy)phenyl]-[3,5-bis[4-(3-aminophenoxy)benzoyl]phenyl]methanone?
The IUPAC name of [4-(3-aminophenoxy)phenyl]-[3,5-bis[4-(3-aminophenoxy)benzoyl]phenyl]methanone (CID 102447265) is [4-(3-aminophenoxy)phenyl]-[3,5-bis[4-(3-aminophenoxy)benzoyl]phenyl]methanone.
What is the SMILES notation for [4-(3-aminophenoxy)phenyl]-[3,5-bis[4-(3-aminophenoxy)benzoyl]phenyl]methanone?
The canonical SMILES for [4-(3-aminophenoxy)phenyl]-[3,5-bis[4-(3-aminophenoxy)benzoyl]phenyl]methanone is Nc1cccc(Oc2ccc(C(=O)c3cc(C(=O)c4ccc(Oc5cccc(N)c5)cc4)cc(C(=O)c4ccc(Oc5cccc(N)c5)cc4)c3)cc2)c1.
What is the InChIKey of [4-(3-aminophenoxy)phenyl]-[3,5-bis[4-(3-aminophenoxy)benzoyl]phenyl]methanone?
The InChIKey is AUEOXMSCCGVYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33N3O6/c46-34-4-1-7-40(25-34)52-37-16-10-28(11-17-37)43(49)31-22-32(44(50)29-12-18-38(19-13-29)53-41-8-2-5-35(47)26-41)24-33(23-31)45(51)30-14-20-39(21-15-30)54-42-9-3-6-36(48)27-42/h1-27H,46-48H2.
What are the key properties of [4-(3-aminophenoxy)phenyl]-[3,5-bis[4-(3-aminophenoxy)benzoyl]phenyl]methanone?
[4-(3-aminophenoxy)phenyl]-[3,5-bis[4-(3-aminophenoxy)benzoyl]phenyl]methanone has a molecular weight of 711.77 g/mol, XLogP of 9.50, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminophenoxy)phenyl]-[3,5-bis[4-(3-aminophenoxy)benzoyl]phenyl]methanone is sourced from PubChem (CID 102447265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).