(2,7-dimethoxynaphthalen-1-yl)-naphthalen-1-ylmethanone

C46H36O6 — CID 139085652

IUPAC(2,7-dimethoxynaphthalen-1-yl)-naphthalen-1-ylmethanone
SMILESCOc1ccc2ccc(OC)c(C(=O)c3cccc4ccccc34)c2c1.COc1ccc2ccc(OC)c(C(=O)c3cccc4ccccc34)c2c1
InChIInChI=1S/2C23H18O3/c2*1-25-17-12-10-16-11-13-21(26-2)22(20(16)14-17)23(24)19-9-5-7-15-6-3-4-8-18(15)19/h2*3-14H,1-2H3
InChIKeyWTELHRFZSKHFGS-UHFFFAOYSA-N
MW684.79 g/mol
LogP10.48
Rot. Bonds8

About (2,7-dimethoxynaphthalen-1-yl)-naphthalen-1-ylmethanone

(2,7-dimethoxynaphthalen-1-yl)-naphthalen-1-ylmethanone (PubChem CID 139085652) has the molecular formula C46H36O6 and a molecular weight of 684.79 g/mol. Its IUPAC name is (2,7-dimethoxynaphthalen-1-yl)-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name(2,7-dimethoxynaphthalen-1-yl)-naphthalen-1-ylmethanone
PubChem CID139085652
Molecular FormulaC46H36O6
Molecular Weight684.79 g/mol
Exact Mass684.25
IUPAC Name(2,7-dimethoxynaphthalen-1-yl)-naphthalen-1-ylmethanone
SMILESCOc1ccc2ccc(OC)c(C(=O)c3cccc4ccccc34)c2c1.COc1ccc2ccc(OC)c(C(=O)c3cccc4ccccc34)c2c1
InChIInChI=1S/2C23H18O3/c2*1-25-17-12-10-16-11-13-21(26-2)22(20(16)14-17)23(24)19-9-5-7-15-6-3-4-8-18(15)19/h2*3-14H,1-2H3
InChIKeyWTELHRFZSKHFGS-UHFFFAOYSA-N
XLogP10.48
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.79
LogP ≤ 510.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2,5-dimethoxyphenyl)-naphthalen-1-ylmethanone
CID 146006285
[6-methoxy-5-[2-methoxy-6-(naphthalene-1-carbonyl)naphthalen-1-yl]naphthalen-2-yl]-naphthalen-1-ylmethanone
CID 101460356
bis(1-benzoyl-7-methoxynaphthalen-2-yl) benzene-1,4-dicarboxylate
CID 139085404
[4-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-yl]-naphthalen-1-ylmethanone
CID 71769493
1-(3-methoxyphenyl)-2-naphthalen-1-ylethane-1,2-dione
CID 56956967
(2,3-dimethoxyphenyl)-(2,5-dimethoxyphenyl)methanone
CID 69347574
3,6-dimethoxyphenanthrene-9-carboxylic acid;phenanthrene-1-carboxylic acid
CID 141397623
(2,4-dimethoxyphenyl)-pyren-1-ylmethanone
CID 15505944
2-(2,5-dimethoxyphenyl)-N-naphthalen-1-ylacetamide
CID 78804407
N-(2,5-dimethoxyphenyl)-N'-[(E)-1-naphthalen-1-ylethylideneamino]oxamide
CID 19661204
1-(4-methoxyphenyl)-4-naphthalen-1-ylbutane-1,4-dione
CID 14529191
naphthalen-1-ylmethyl 2,4-dimethoxybenzoate
CID 2504618

Frequently Asked Questions

What is the IUPAC name of (2,7-dimethoxynaphthalen-1-yl)-naphthalen-1-ylmethanone?
The IUPAC name of (2,7-dimethoxynaphthalen-1-yl)-naphthalen-1-ylmethanone (CID 139085652) is (2,7-dimethoxynaphthalen-1-yl)-naphthalen-1-ylmethanone.
What is the SMILES notation for (2,7-dimethoxynaphthalen-1-yl)-naphthalen-1-ylmethanone?
The canonical SMILES for (2,7-dimethoxynaphthalen-1-yl)-naphthalen-1-ylmethanone is COc1ccc2ccc(OC)c(C(=O)c3cccc4ccccc34)c2c1.COc1ccc2ccc(OC)c(C(=O)c3cccc4ccccc34)c2c1.
What is the InChIKey of (2,7-dimethoxynaphthalen-1-yl)-naphthalen-1-ylmethanone?
The InChIKey is WTELHRFZSKHFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H18O3/c2*1-25-17-12-10-16-11-13-21(26-2)22(20(16)14-17)23(24)19-9-5-7-15-6-3-4-8-18(15)19/h2*3-14H,1-2H3.
What are the key properties of (2,7-dimethoxynaphthalen-1-yl)-naphthalen-1-ylmethanone?
(2,7-dimethoxynaphthalen-1-yl)-naphthalen-1-ylmethanone has a molecular weight of 684.79 g/mol, XLogP of 10.48, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,7-dimethoxynaphthalen-1-yl)-naphthalen-1-ylmethanone is sourced from PubChem (CID 139085652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).