5-[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]-2,2-dimethyl-3H-inden-1-one

C70H64O10 — CID 139090295

IUPAC5-[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]-2,2-dimethyl-3H-inden-1-one
SMILESCOCOc1ccc2ccccc2c1-c1c(OCOC)c(-c2ccc3c(c2)CC(C)(C)C3=O)cc2ccccc12.COCOc1ccc2ccccc2c1-c1c(OCOC)c(-c2ccc3c(c2)CC(C)(C)C3=O)cc2ccccc12
InChIInChI=1S/2C35H32O5/c2*1-35(2)19-25-17-24(13-15-28(25)34(35)36)29-18-23-10-6-8-12-27(23)32(33(29)40-21-38-4)31-26-11-7-5-9-22(26)14-16-30(31)39-20-37-3/h2*5-18H,19-21H2,1-4H3
InChIKeyZMMHNUYDWQKWCI-UHFFFAOYSA-N
MW1065.27 g/mol
LogP16.11
Rot. Bonds16

About 5-[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]-2,2-dimethyl-3H-inden-1-one

5-[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]-2,2-dimethyl-3H-inden-1-one (PubChem CID 139090295) has the molecular formula C70H64O10 and a molecular weight of 1065.27 g/mol. Its IUPAC name is 5-[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]-2,2-dimethyl-3H-inden-1-one.

Molecular Properties

Compound Name5-[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]-2,2-dimethyl-3H-inden-1-one
PubChem CID139090295
Molecular FormulaC70H64O10
Molecular Weight1065.27 g/mol
Exact Mass1064.45
IUPAC Name5-[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]-2,2-dimethyl-3H-inden-1-one
SMILESCOCOc1ccc2ccccc2c1-c1c(OCOC)c(-c2ccc3c(c2)CC(C)(C)C3=O)cc2ccccc12.COCOc1ccc2ccccc2c1-c1c(OCOC)c(-c2ccc3c(c2)CC(C)(C)C3=O)cc2ccccc12
InChIInChI=1S/2C35H32O5/c2*1-35(2)19-25-17-24(13-15-28(25)34(35)36)29-18-23-10-6-8-12-27(23)32(33(29)40-21-38-4)31-26-11-7-5-9-22(26)14-16-30(31)39-20-37-3/h2*5-18H,19-21H2,1-4H3
InChIKeyZMMHNUYDWQKWCI-UHFFFAOYSA-N
XLogP16.11
TPSA107.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001065.27
LogP ≤ 516.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(methoxymethoxy)-1-[4-[4-[2-(methoxymethoxy)naphthalen-1-yl]phenyl]phenyl]naphthalene
CID 139257429
S-[[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methyl] ethanethioate
CID 101234267
1-[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]-N-[(1S,2S)-2-[[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methylideneamino]cyclohexyl]methanimine
CID 139257954
2-methoxy-1-(2-methoxy-3-naphthalen-2-ylnaphthalen-1-yl)-3-naphthalen-2-ylnaphthalene
CID 10531028
2-(methoxymethoxy)-1-[2-(methoxymethoxy)-6-methylnaphthalen-1-yl]-6-methylnaphthalene
CID 142064515
4-[3-formyl-2-(methoxymethoxy)naphthalen-1-yl]-3-(methoxymethoxy)naphthalene-2-carbaldehyde
CID 15246820
3-bromo-1-[3-bromo-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene;sulfane
CID 155819548
2-[1-[2-(carboxymethoxy)-3-(2-naphthalen-1-ylphenyl)naphthalen-1-yl]-6-naphthalen-1-ylnaphthalen-2-yl]oxyacetic acid
CID 142535552
(2R)-2-[[6-(methoxymethoxy)-5-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methoxymethyl]oxirane
CID 122215081
[1-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl] selenocyanate
CID 132518889
5-(5-amino-2-methylphenyl)-2,2-dimethyl-3H-inden-1-one
CID 69068236
CID 135043003
CID 135043003

Frequently Asked Questions

What is the IUPAC name of 5-[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]-2,2-dimethyl-3H-inden-1-one?
The IUPAC name of 5-[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]-2,2-dimethyl-3H-inden-1-one (CID 139090295) is 5-[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]-2,2-dimethyl-3H-inden-1-one.
What is the SMILES notation for 5-[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]-2,2-dimethyl-3H-inden-1-one?
The canonical SMILES for 5-[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]-2,2-dimethyl-3H-inden-1-one is COCOc1ccc2ccccc2c1-c1c(OCOC)c(-c2ccc3c(c2)CC(C)(C)C3=O)cc2ccccc12.COCOc1ccc2ccccc2c1-c1c(OCOC)c(-c2ccc3c(c2)CC(C)(C)C3=O)cc2ccccc12.
What is the InChIKey of 5-[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]-2,2-dimethyl-3H-inden-1-one?
The InChIKey is ZMMHNUYDWQKWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C35H32O5/c2*1-35(2)19-25-17-24(13-15-28(25)34(35)36)29-18-23-10-6-8-12-27(23)32(33(29)40-21-38-4)31-26-11-7-5-9-22(26)14-16-30(31)39-20-37-3/h2*5-18H,19-21H2,1-4H3.
What are the key properties of 5-[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]-2,2-dimethyl-3H-inden-1-one?
5-[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]-2,2-dimethyl-3H-inden-1-one has a molecular weight of 1065.27 g/mol, XLogP of 16.11, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]-2,2-dimethyl-3H-inden-1-one is sourced from PubChem (CID 139090295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).