2-methoxy-1-[[2-methoxy-3-[(4-methoxynaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]-3-[(4-methoxynaphthalen-1-yl)methyl]naphthalene

C47H40O4 — CID 15852632

IUPAC2-methoxy-1-[[2-methoxy-3-[(4-methoxynaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]-3-[(4-methoxynaphthalen-1-yl)methyl]naphthalene
SMILESCOc1c(Cc2ccc(OC)c3ccccc23)cc2ccccc2c1Cc1c(OC)c(Cc2ccc(OC)c3ccccc23)cc2ccccc12
InChIInChI=1S/C47H40O4/c1-48-44-23-21-32(36-15-9-11-19-40(36)44)27-34-25-30-13-5-7-17-38(30)42(46(34)50-3)29-43-39-18-8-6-14-31(39)26-35(47(43)51-4)28-33-22-24-45(49-2)41-20-12-10-16-37(33)41/h5-26H,27-29H2,1-4H3
InChIKeyIBBCWBBWAYNHGC-UHFFFAOYSA-N
MW668.83 g/mol
LogP11.11
Rot. Bonds10

About 2-methoxy-1-[[2-methoxy-3-[(4-methoxynaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]-3-[(4-methoxynaphthalen-1-yl)methyl]naphthalene

2-methoxy-1-[[2-methoxy-3-[(4-methoxynaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]-3-[(4-methoxynaphthalen-1-yl)methyl]naphthalene (PubChem CID 15852632) has the molecular formula C47H40O4 and a molecular weight of 668.83 g/mol. Its IUPAC name is 2-methoxy-1-[[2-methoxy-3-[(4-methoxynaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]-3-[(4-methoxynaphthalen-1-yl)methyl]naphthalene.

Molecular Properties

Compound Name2-methoxy-1-[[2-methoxy-3-[(4-methoxynaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]-3-[(4-methoxynaphthalen-1-yl)methyl]naphthalene
PubChem CID15852632
Molecular FormulaC47H40O4
Molecular Weight668.83 g/mol
Exact Mass668.29
IUPAC Name2-methoxy-1-[[2-methoxy-3-[(4-methoxynaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]-3-[(4-methoxynaphthalen-1-yl)methyl]naphthalene
SMILESCOc1c(Cc2ccc(OC)c3ccccc23)cc2ccccc2c1Cc1c(OC)c(Cc2ccc(OC)c3ccccc23)cc2ccccc12
InChIInChI=1S/C47H40O4/c1-48-44-23-21-32(36-15-9-11-19-40(36)44)27-34-25-30-13-5-7-17-38(30)42(46(34)50-3)29-43-39-18-8-6-14-31(39)26-35(47(43)51-4)28-33-22-24-45(49-2)41-20-12-10-16-37(33)41/h5-26H,27-29H2,1-4H3
InChIKeyIBBCWBBWAYNHGC-UHFFFAOYSA-N
XLogP11.11
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.83
LogP ≤ 511.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-1-[[2-methoxy-3-[(4-methoxynaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]-3-[(4-methoxynaphthalen-1-yl)methyl]naphthalene with MolForge

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Related Compounds

1-methoxy-4-[[4-methoxy-3-[(1-methoxynaphthalen-2-yl)methyl]naphthalen-1-yl]methyl]-2-[(1-methoxynaphthalen-2-yl)methyl]naphthalene
CID 15852631
2-methoxy-1,6-bis[(2-methoxynaphthalen-1-yl)methyl]naphthalene
CID 139095345
1-methoxy-4-(methoxymethyl)naphthalene
CID 12777030
2-(4-methoxynaphthalen-1-yl)ethanamine
CID 1251790
4-[(4,7-dimethoxynaphthalen-1-yl)methyl]-1,6-dimethoxynaphthalene
CID 157306599
3-benzyl-1-(3-benzyl-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene
CID 176909607
9-(anthracen-9-ylmethyl)anthracene;ethane
CID 91026872
[4-[[3-(hydroxymethyl)-4-methoxynaphthalen-1-yl]methyl]-1-methoxynaphthalen-2-yl]methanol
CID 10620308
1-(4-methoxynaphthalen-1-yl)propan-2-one
CID 70461266
2-methoxy-1-(2-methoxynaphthalen-1-yl)oxynaphthalene
CID 168858344
10-[(4-tert-butylphenyl)methyl]-2,3-dimethoxyphenanthrene
CID 56931273
1-methoxy-4-[[4-prop-2-enyl-2,6-bis(trifluoromethyl)phenyl]methyl]naphthalene
CID 171832360

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[[2-methoxy-3-[(4-methoxynaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]-3-[(4-methoxynaphthalen-1-yl)methyl]naphthalene?
The IUPAC name of 2-methoxy-1-[[2-methoxy-3-[(4-methoxynaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]-3-[(4-methoxynaphthalen-1-yl)methyl]naphthalene (CID 15852632) is 2-methoxy-1-[[2-methoxy-3-[(4-methoxynaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]-3-[(4-methoxynaphthalen-1-yl)methyl]naphthalene.
What is the SMILES notation for 2-methoxy-1-[[2-methoxy-3-[(4-methoxynaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]-3-[(4-methoxynaphthalen-1-yl)methyl]naphthalene?
The canonical SMILES for 2-methoxy-1-[[2-methoxy-3-[(4-methoxynaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]-3-[(4-methoxynaphthalen-1-yl)methyl]naphthalene is COc1c(Cc2ccc(OC)c3ccccc23)cc2ccccc2c1Cc1c(OC)c(Cc2ccc(OC)c3ccccc23)cc2ccccc12.
What is the InChIKey of 2-methoxy-1-[[2-methoxy-3-[(4-methoxynaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]-3-[(4-methoxynaphthalen-1-yl)methyl]naphthalene?
The InChIKey is IBBCWBBWAYNHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H40O4/c1-48-44-23-21-32(36-15-9-11-19-40(36)44)27-34-25-30-13-5-7-17-38(30)42(46(34)50-3)29-43-39-18-8-6-14-31(39)26-35(47(43)51-4)28-33-22-24-45(49-2)41-20-12-10-16-37(33)41/h5-26H,27-29H2,1-4H3.
What are the key properties of 2-methoxy-1-[[2-methoxy-3-[(4-methoxynaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]-3-[(4-methoxynaphthalen-1-yl)methyl]naphthalene?
2-methoxy-1-[[2-methoxy-3-[(4-methoxynaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]-3-[(4-methoxynaphthalen-1-yl)methyl]naphthalene has a molecular weight of 668.83 g/mol, XLogP of 11.11, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[[2-methoxy-3-[(4-methoxynaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]-3-[(4-methoxynaphthalen-1-yl)methyl]naphthalene is sourced from PubChem (CID 15852632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).