1-[(2,7-dimethoxynaphthalen-1-yl)methyl]-7-methoxy-2-[[7-methoxy-8-[(2-methoxynaphthalen-1-yl)methyl]naphthalen-2-yl]methoxy]naphthalene

C48H42O6 — CID 166896923

IUPAC1-[(2,7-dimethoxynaphthalen-1-yl)methyl]-7-methoxy-2-[[7-methoxy-8-[(2-methoxynaphthalen-1-yl)methyl]naphthalen-2-yl]methoxy]naphthalene
SMILESCOc1ccc2ccc(OC)c(Cc3c(OCc4ccc5ccc(OC)c(Cc6c(OC)ccc7ccccc67)c5c4)ccc4ccc(OC)cc34)c2c1
InChIInChI=1S/C48H42O6/c1-49-35-18-12-33-16-22-47(53-5)43(39(33)25-35)28-44-40-26-36(50-2)19-13-34(40)17-23-48(44)54-29-30-10-11-32-15-21-46(52-4)42(38(32)24-30)27-41-37-9-7-6-8-31(37)14-20-45(41)51-3/h6-26H,27-29H2,1-5H3
InChIKeyADAQMDSKXPPRHG-UHFFFAOYSA-N
MW714.86 g/mol
LogP11.10
Rot. Bonds12

About 1-[(2,7-dimethoxynaphthalen-1-yl)methyl]-7-methoxy-2-[[7-methoxy-8-[(2-methoxynaphthalen-1-yl)methyl]naphthalen-2-yl]methoxy]naphthalene

1-[(2,7-dimethoxynaphthalen-1-yl)methyl]-7-methoxy-2-[[7-methoxy-8-[(2-methoxynaphthalen-1-yl)methyl]naphthalen-2-yl]methoxy]naphthalene (PubChem CID 166896923) has the molecular formula C48H42O6 and a molecular weight of 714.86 g/mol. Its IUPAC name is 1-[(2,7-dimethoxynaphthalen-1-yl)methyl]-7-methoxy-2-[[7-methoxy-8-[(2-methoxynaphthalen-1-yl)methyl]naphthalen-2-yl]methoxy]naphthalene.

Molecular Properties

Compound Name1-[(2,7-dimethoxynaphthalen-1-yl)methyl]-7-methoxy-2-[[7-methoxy-8-[(2-methoxynaphthalen-1-yl)methyl]naphthalen-2-yl]methoxy]naphthalene
PubChem CID166896923
Molecular FormulaC48H42O6
Molecular Weight714.86 g/mol
Exact Mass714.30
IUPAC Name1-[(2,7-dimethoxynaphthalen-1-yl)methyl]-7-methoxy-2-[[7-methoxy-8-[(2-methoxynaphthalen-1-yl)methyl]naphthalen-2-yl]methoxy]naphthalene
SMILESCOc1ccc2ccc(OC)c(Cc3c(OCc4ccc5ccc(OC)c(Cc6c(OC)ccc7ccccc67)c5c4)ccc4ccc(OC)cc34)c2c1
InChIInChI=1S/C48H42O6/c1-49-35-18-12-33-16-22-47(53-5)43(39(33)25-35)28-44-40-26-36(50-2)19-13-34(40)17-23-48(44)54-29-30-10-11-32-15-21-46(52-4)42(38(32)24-30)27-41-37-9-7-6-8-31(37)14-20-45(41)51-3/h6-26H,27-29H2,1-5H3
InChIKeyADAQMDSKXPPRHG-UHFFFAOYSA-N
XLogP11.10
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.86
LogP ≤ 511.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(2,7-dimethoxynaphthalen-1-yl)methyl]-7-methoxy-2-[[7-methoxy-8-[(2-methoxynaphthalen-1-yl)methyl]naphthalen-2-yl]methoxy]naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-1,6-bis[(2-methoxynaphthalen-1-yl)methyl]naphthalene
CID 139095345
1-[(2-methoxynaphthalen-1-yl)methoxy]anthracene
CID 71427905
2-methoxy-1-(2-methoxynaphthalen-1-yl)-3-phenylmethoxynaphthalene
CID 172829442
2-(2,7-dimethoxynaphthalen-1-yl)ethanamine
CID 10399005
N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724157
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724097
4-[(2-methoxynaphthalen-1-yl)methoxy]benzene-1,2-dicarbonitrile
CID 71367616
1-(naphthalen-2-ylmethoxy)naphthalene
CID 132511538
2-[1-[(2-methoxynaphthalen-1-yl)methyl]naphthalen-2-yl]oxyethyl methanesulfonate
CID 166589868
1,2-dibenzyl-7-methoxynaphthalene
CID 174540478
1-(2-methoxyphenyl)-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride
CID 17208275
(2-methoxyanthracen-1-yl)methanol
CID 102344428

Frequently Asked Questions

What is the IUPAC name of 1-[(2,7-dimethoxynaphthalen-1-yl)methyl]-7-methoxy-2-[[7-methoxy-8-[(2-methoxynaphthalen-1-yl)methyl]naphthalen-2-yl]methoxy]naphthalene?
The IUPAC name of 1-[(2,7-dimethoxynaphthalen-1-yl)methyl]-7-methoxy-2-[[7-methoxy-8-[(2-methoxynaphthalen-1-yl)methyl]naphthalen-2-yl]methoxy]naphthalene (CID 166896923) is 1-[(2,7-dimethoxynaphthalen-1-yl)methyl]-7-methoxy-2-[[7-methoxy-8-[(2-methoxynaphthalen-1-yl)methyl]naphthalen-2-yl]methoxy]naphthalene.
What is the SMILES notation for 1-[(2,7-dimethoxynaphthalen-1-yl)methyl]-7-methoxy-2-[[7-methoxy-8-[(2-methoxynaphthalen-1-yl)methyl]naphthalen-2-yl]methoxy]naphthalene?
The canonical SMILES for 1-[(2,7-dimethoxynaphthalen-1-yl)methyl]-7-methoxy-2-[[7-methoxy-8-[(2-methoxynaphthalen-1-yl)methyl]naphthalen-2-yl]methoxy]naphthalene is COc1ccc2ccc(OC)c(Cc3c(OCc4ccc5ccc(OC)c(Cc6c(OC)ccc7ccccc67)c5c4)ccc4ccc(OC)cc34)c2c1.
What is the InChIKey of 1-[(2,7-dimethoxynaphthalen-1-yl)methyl]-7-methoxy-2-[[7-methoxy-8-[(2-methoxynaphthalen-1-yl)methyl]naphthalen-2-yl]methoxy]naphthalene?
The InChIKey is ADAQMDSKXPPRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H42O6/c1-49-35-18-12-33-16-22-47(53-5)43(39(33)25-35)28-44-40-26-36(50-2)19-13-34(40)17-23-48(44)54-29-30-10-11-32-15-21-46(52-4)42(38(32)24-30)27-41-37-9-7-6-8-31(37)14-20-45(41)51-3/h6-26H,27-29H2,1-5H3.
What are the key properties of 1-[(2,7-dimethoxynaphthalen-1-yl)methyl]-7-methoxy-2-[[7-methoxy-8-[(2-methoxynaphthalen-1-yl)methyl]naphthalen-2-yl]methoxy]naphthalene?
1-[(2,7-dimethoxynaphthalen-1-yl)methyl]-7-methoxy-2-[[7-methoxy-8-[(2-methoxynaphthalen-1-yl)methyl]naphthalen-2-yl]methoxy]naphthalene has a molecular weight of 714.86 g/mol, XLogP of 11.10, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,7-dimethoxynaphthalen-1-yl)methyl]-7-methoxy-2-[[7-methoxy-8-[(2-methoxynaphthalen-1-yl)methyl]naphthalen-2-yl]methoxy]naphthalene is sourced from PubChem (CID 166896923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).