[6-[4-(3-aminophenoxy)benzoyl]naphthalen-2-yl]-[4-(3-aminophenoxy)phenyl]methanone

C36H26N2O4 — CID 177406182

IUPAC[6-[4-(3-aminophenoxy)benzoyl]naphthalen-2-yl]-[4-(3-aminophenoxy)phenyl]methanone
SMILESNc1cccc(Oc2ccc(C(=O)c3ccc4cc(C(=O)c5ccc(Oc6cccc(N)c6)cc5)ccc4c3)cc2)c1
InChIInChI=1S/C36H26N2O4/c37-29-3-1-5-33(21-29)41-31-15-11-23(12-16-31)35(39)27-9-7-26-20-28(10-8-25(26)19-27)36(40)24-13-17-32(18-14-24)42-34-6-2-4-30(38)22-34/h1-22H,37-38H2
InChIKeyJAPBPVQEVYLSNL-UHFFFAOYSA-N
MW550.61 g/mol
LogP8.05
Rot. Bonds8

About [6-[4-(3-aminophenoxy)benzoyl]naphthalen-2-yl]-[4-(3-aminophenoxy)phenyl]methanone

[6-[4-(3-aminophenoxy)benzoyl]naphthalen-2-yl]-[4-(3-aminophenoxy)phenyl]methanone (PubChem CID 177406182) has the molecular formula C36H26N2O4 and a molecular weight of 550.61 g/mol. Its IUPAC name is [6-[4-(3-aminophenoxy)benzoyl]naphthalen-2-yl]-[4-(3-aminophenoxy)phenyl]methanone.

Molecular Properties

Compound Name[6-[4-(3-aminophenoxy)benzoyl]naphthalen-2-yl]-[4-(3-aminophenoxy)phenyl]methanone
PubChem CID177406182
Molecular FormulaC36H26N2O4
Molecular Weight550.61 g/mol
Exact Mass550.19
IUPAC Name[6-[4-(3-aminophenoxy)benzoyl]naphthalen-2-yl]-[4-(3-aminophenoxy)phenyl]methanone
SMILESNc1cccc(Oc2ccc(C(=O)c3ccc4cc(C(=O)c5ccc(Oc6cccc(N)c6)cc5)ccc4c3)cc2)c1
InChIInChI=1S/C36H26N2O4/c37-29-3-1-5-33(21-29)41-31-15-11-23(12-16-31)35(39)27-9-7-26-20-28(10-8-25(26)19-27)36(40)24-13-17-32(18-14-24)42-34-6-2-4-30(38)22-34/h1-22H,37-38H2
InChIKeyJAPBPVQEVYLSNL-UHFFFAOYSA-N
XLogP8.05
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.61
LogP ≤ 58.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-(3-aminophenoxy)phenyl]-[3,5-bis[4-(3-aminophenoxy)benzoyl]phenyl]methanone
CID 102447265
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
[3,5-bis(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 11571089
(3-aminophenyl)-(4-aminophenyl)methanone;bis(4-aminophenyl)methanone
CID 160593593
(3-aminophenyl)-(4-aminophenyl)methanone;bis(3-aminophenyl)methanone
CID 69316817

Frequently Asked Questions

What is the IUPAC name of [6-[4-(3-aminophenoxy)benzoyl]naphthalen-2-yl]-[4-(3-aminophenoxy)phenyl]methanone?
The IUPAC name of [6-[4-(3-aminophenoxy)benzoyl]naphthalen-2-yl]-[4-(3-aminophenoxy)phenyl]methanone (CID 177406182) is [6-[4-(3-aminophenoxy)benzoyl]naphthalen-2-yl]-[4-(3-aminophenoxy)phenyl]methanone.
What is the SMILES notation for [6-[4-(3-aminophenoxy)benzoyl]naphthalen-2-yl]-[4-(3-aminophenoxy)phenyl]methanone?
The canonical SMILES for [6-[4-(3-aminophenoxy)benzoyl]naphthalen-2-yl]-[4-(3-aminophenoxy)phenyl]methanone is Nc1cccc(Oc2ccc(C(=O)c3ccc4cc(C(=O)c5ccc(Oc6cccc(N)c6)cc5)ccc4c3)cc2)c1.
What is the InChIKey of [6-[4-(3-aminophenoxy)benzoyl]naphthalen-2-yl]-[4-(3-aminophenoxy)phenyl]methanone?
The InChIKey is JAPBPVQEVYLSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N2O4/c37-29-3-1-5-33(21-29)41-31-15-11-23(12-16-31)35(39)27-9-7-26-20-28(10-8-25(26)19-27)36(40)24-13-17-32(18-14-24)42-34-6-2-4-30(38)22-34/h1-22H,37-38H2.
What are the key properties of [6-[4-(3-aminophenoxy)benzoyl]naphthalen-2-yl]-[4-(3-aminophenoxy)phenyl]methanone?
[6-[4-(3-aminophenoxy)benzoyl]naphthalen-2-yl]-[4-(3-aminophenoxy)phenyl]methanone has a molecular weight of 550.61 g/mol, XLogP of 8.05, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(3-aminophenoxy)benzoyl]naphthalen-2-yl]-[4-(3-aminophenoxy)phenyl]methanone is sourced from PubChem (CID 177406182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).