(1,8-dibenzoyl-7-benzoyloxynaphthalen-2-yl) benzoate

C38H24O6 — CID 139084342

IUPAC(1,8-dibenzoyl-7-benzoyloxynaphthalen-2-yl) benzoate
SMILESO=C(Oc1ccc2ccc(OC(=O)c3ccccc3)c(C(=O)c3ccccc3)c2c1C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C38H24O6/c39-35(26-13-5-1-6-14-26)33-30(43-37(41)28-17-9-3-10-18-28)23-21-25-22-24-31(44-38(42)29-19-11-4-12-20-29)34(32(25)33)36(40)27-15-7-2-8-16-27/h1-24H
InChIKeyTZHGHEPZLSVICH-UHFFFAOYSA-N
MW576.60 g/mol
LogP7.74
Rot. Bonds8

About (1,8-dibenzoyl-7-benzoyloxynaphthalen-2-yl) benzoate

(1,8-dibenzoyl-7-benzoyloxynaphthalen-2-yl) benzoate (PubChem CID 139084342) has the molecular formula C38H24O6 and a molecular weight of 576.60 g/mol. Its IUPAC name is (1,8-dibenzoyl-7-benzoyloxynaphthalen-2-yl) benzoate.

Molecular Properties

Compound Name(1,8-dibenzoyl-7-benzoyloxynaphthalen-2-yl) benzoate
PubChem CID139084342
Molecular FormulaC38H24O6
Molecular Weight576.60 g/mol
Exact Mass576.16
IUPAC Name(1,8-dibenzoyl-7-benzoyloxynaphthalen-2-yl) benzoate
SMILESO=C(Oc1ccc2ccc(OC(=O)c3ccccc3)c(C(=O)c3ccccc3)c2c1C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C38H24O6/c39-35(26-13-5-1-6-14-26)33-30(43-37(41)28-17-9-3-10-18-28)23-21-25-22-24-31(44-38(42)29-19-11-4-12-20-29)34(32(25)33)36(40)27-15-7-2-8-16-27/h1-24H
InChIKeyTZHGHEPZLSVICH-UHFFFAOYSA-N
XLogP7.74
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.60
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(8-benzoyl-2,7-diphenoxynaphthalen-1-yl)-phenylmethanone
CID 139086935
bis(1-benzoyl-7-methoxynaphthalen-2-yl) benzene-1,4-dicarboxylate
CID 139085404
(1,5-diacetyl-6-benzoyloxynaphthalen-2-yl) benzoate
CID 571452
(8-benzoyl-2,7-dihydroxynaphthalen-1-yl)-phenylmethanone
CID 139061724
(2,4-dibromophenyl) 4-benzoylbenzoate
CID 2316078
(2,3-dibenzoylpyren-1-yl)-phenylmethanone
CID 87274326
diphenyl 3,6-bis[(4-methoxybenzoyl)oxy]benzene-1,2-dicarboxylate
CID 144750320
(2-acetyl-3-methoxyphenyl) benzoate
CID 14572161
(2-benzoyl-3-hydroxyphenyl) benzoate;2-methyloxirane
CID 87616377
(8-benzoyloxynaphthalen-1-yl) naphthalene-1-carboxylate
CID 175286070
(2-nitrooxyphenyl) benzoate
CID 151932386
(2-benzoyl-4,5-dimethoxyphenyl) benzoate
CID 141249986

Frequently Asked Questions

What is the IUPAC name of (1,8-dibenzoyl-7-benzoyloxynaphthalen-2-yl) benzoate?
The IUPAC name of (1,8-dibenzoyl-7-benzoyloxynaphthalen-2-yl) benzoate (CID 139084342) is (1,8-dibenzoyl-7-benzoyloxynaphthalen-2-yl) benzoate.
What is the SMILES notation for (1,8-dibenzoyl-7-benzoyloxynaphthalen-2-yl) benzoate?
The canonical SMILES for (1,8-dibenzoyl-7-benzoyloxynaphthalen-2-yl) benzoate is O=C(Oc1ccc2ccc(OC(=O)c3ccccc3)c(C(=O)c3ccccc3)c2c1C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (1,8-dibenzoyl-7-benzoyloxynaphthalen-2-yl) benzoate?
The InChIKey is TZHGHEPZLSVICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24O6/c39-35(26-13-5-1-6-14-26)33-30(43-37(41)28-17-9-3-10-18-28)23-21-25-22-24-31(44-38(42)29-19-11-4-12-20-29)34(32(25)33)36(40)27-15-7-2-8-16-27/h1-24H.
What are the key properties of (1,8-dibenzoyl-7-benzoyloxynaphthalen-2-yl) benzoate?
(1,8-dibenzoyl-7-benzoyloxynaphthalen-2-yl) benzoate has a molecular weight of 576.60 g/mol, XLogP of 7.74, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,8-dibenzoyl-7-benzoyloxynaphthalen-2-yl) benzoate is sourced from PubChem (CID 139084342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).