(8-benzoyl-2,7-diphenoxynaphthalen-1-yl)-phenylmethanone

C36H24O4 — CID 139086935

IUPAC(8-benzoyl-2,7-diphenoxynaphthalen-1-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1c(Oc2ccccc2)ccc2ccc(Oc3ccccc3)c(C(=O)c3ccccc3)c12
InChIInChI=1S/C36H24O4/c37-35(26-13-5-1-6-14-26)33-30(39-28-17-9-3-10-18-28)23-21-25-22-24-31(40-29-19-11-4-12-20-29)34(32(25)33)36(38)27-15-7-2-8-16-27/h1-24H
InChIKeyCTPSMNSGVCDWLQ-UHFFFAOYSA-N
MW520.58 g/mol
LogP8.89
Rot. Bonds8

About (8-benzoyl-2,7-diphenoxynaphthalen-1-yl)-phenylmethanone

(8-benzoyl-2,7-diphenoxynaphthalen-1-yl)-phenylmethanone (PubChem CID 139086935) has the molecular formula C36H24O4 and a molecular weight of 520.58 g/mol. Its IUPAC name is (8-benzoyl-2,7-diphenoxynaphthalen-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(8-benzoyl-2,7-diphenoxynaphthalen-1-yl)-phenylmethanone
PubChem CID139086935
Molecular FormulaC36H24O4
Molecular Weight520.58 g/mol
Exact Mass520.17
IUPAC Name(8-benzoyl-2,7-diphenoxynaphthalen-1-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1c(Oc2ccccc2)ccc2ccc(Oc3ccccc3)c(C(=O)c3ccccc3)c12
InChIInChI=1S/C36H24O4/c37-35(26-13-5-1-6-14-26)33-30(39-28-17-9-3-10-18-28)23-21-25-22-24-31(40-29-19-11-4-12-20-29)34(32(25)33)36(38)27-15-7-2-8-16-27/h1-24H
InChIKeyCTPSMNSGVCDWLQ-UHFFFAOYSA-N
XLogP8.89
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.58
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1,8-dibenzoyl-7-benzoyloxynaphthalen-2-yl) benzoate
CID 139084342
[2,7-dihydroxy-8-(4-phenoxybenzoyl)naphthalen-1-yl]-(4-phenoxyphenyl)methanone
CID 139085201
(2-phenoxyphenyl)-phenylmethanone
CID 10802273
bis[4-(2-phenoxyphenoxy)phenyl]methanone
CID 19849453
(8-benzoyl-2,7-dihydroxynaphthalen-1-yl)-phenylmethanone
CID 139061724
[4-[2-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 175364335
(8-benzoyl-2,7-dimethylnaphthalen-1-yl)-phenylmethanone
CID 5259949
(3-nitro-4-phenoxyphenyl)-phenylmethanone
CID 3531975
[6-(3-methyl-4-phenoxybenzoyl)naphthalen-2-yl]-(3-methyl-4-phenoxyphenyl)methanone
CID 23054764
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
(3-phenoxy-2-pyridinyl)-phenylmethanone
CID 173425503
(4-iodo-2-phenoxyphenyl)-phenylmethanone
CID 67055516

Frequently Asked Questions

What is the IUPAC name of (8-benzoyl-2,7-diphenoxynaphthalen-1-yl)-phenylmethanone?
The IUPAC name of (8-benzoyl-2,7-diphenoxynaphthalen-1-yl)-phenylmethanone (CID 139086935) is (8-benzoyl-2,7-diphenoxynaphthalen-1-yl)-phenylmethanone.
What is the SMILES notation for (8-benzoyl-2,7-diphenoxynaphthalen-1-yl)-phenylmethanone?
The canonical SMILES for (8-benzoyl-2,7-diphenoxynaphthalen-1-yl)-phenylmethanone is O=C(c1ccccc1)c1c(Oc2ccccc2)ccc2ccc(Oc3ccccc3)c(C(=O)c3ccccc3)c12.
What is the InChIKey of (8-benzoyl-2,7-diphenoxynaphthalen-1-yl)-phenylmethanone?
The InChIKey is CTPSMNSGVCDWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24O4/c37-35(26-13-5-1-6-14-26)33-30(39-28-17-9-3-10-18-28)23-21-25-22-24-31(40-29-19-11-4-12-20-29)34(32(25)33)36(38)27-15-7-2-8-16-27/h1-24H.
What are the key properties of (8-benzoyl-2,7-diphenoxynaphthalen-1-yl)-phenylmethanone?
(8-benzoyl-2,7-diphenoxynaphthalen-1-yl)-phenylmethanone has a molecular weight of 520.58 g/mol, XLogP of 8.89, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-benzoyl-2,7-diphenoxynaphthalen-1-yl)-phenylmethanone is sourced from PubChem (CID 139086935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).