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

C47H40O4 — CID 15852631

IUPAC1-methoxy-4-[[4-methoxy-3-[(1-methoxynaphthalen-2-yl)methyl]naphthalen-1-yl]methyl]-2-[(1-methoxynaphthalen-2-yl)methyl]naphthalene
SMILESCOc1c(Cc2cc(Cc3cc(Cc4ccc5ccccc5c4OC)c(OC)c4ccccc34)c3ccccc3c2OC)ccc2ccccc12
InChIInChI=1S/C47H40O4/c1-48-44-32(23-21-30-13-5-7-17-40(30)44)25-36-28-34(38-15-9-11-19-42(38)46(36)50-3)27-35-29-37(47(51-4)43-20-12-10-16-39(35)43)26-33-24-22-31-14-6-8-18-41(31)45(33)49-2/h5-24,28-29H,25-27H2,1-4H3
InChIKeyKYDHMUYJUQOVHZ-UHFFFAOYSA-N
MW668.83 g/mol
LogP11.11
Rot. Bonds10

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

1-methoxy-4-[[4-methoxy-3-[(1-methoxynaphthalen-2-yl)methyl]naphthalen-1-yl]methyl]-2-[(1-methoxynaphthalen-2-yl)methyl]naphthalene (PubChem CID 15852631) has the molecular formula C47H40O4 and a molecular weight of 668.83 g/mol. Its IUPAC name is 1-methoxy-4-[[4-methoxy-3-[(1-methoxynaphthalen-2-yl)methyl]naphthalen-1-yl]methyl]-2-[(1-methoxynaphthalen-2-yl)methyl]naphthalene.

Molecular Properties

Compound Name1-methoxy-4-[[4-methoxy-3-[(1-methoxynaphthalen-2-yl)methyl]naphthalen-1-yl]methyl]-2-[(1-methoxynaphthalen-2-yl)methyl]naphthalene
PubChem CID15852631
Molecular FormulaC47H40O4
Molecular Weight668.83 g/mol
Exact Mass668.29
IUPAC Name1-methoxy-4-[[4-methoxy-3-[(1-methoxynaphthalen-2-yl)methyl]naphthalen-1-yl]methyl]-2-[(1-methoxynaphthalen-2-yl)methyl]naphthalene
SMILESCOc1c(Cc2cc(Cc3cc(Cc4ccc5ccccc5c4OC)c(OC)c4ccccc34)c3ccccc3c2OC)ccc2ccccc12
InChIInChI=1S/C47H40O4/c1-48-44-32(23-21-30-13-5-7-17-40(30)44)25-36-28-34(38-15-9-11-19-42(38)46(36)50-3)27-35-29-37(47(51-4)43-20-12-10-16-39(35)43)26-33-24-22-31-14-6-8-18-41(31)45(33)49-2/h5-24,28-29H,25-27H2,1-4H3
InChIKeyKYDHMUYJUQOVHZ-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 1-methoxy-4-[[4-methoxy-3-[(1-methoxynaphthalen-2-yl)methyl]naphthalen-1-yl]methyl]-2-[(1-methoxynaphthalen-2-yl)methyl]naphthalene with MolForge

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Related Compounds

2-benzyl-1-methoxynaphthalene
CID 15617899
[4-[[3-(hydroxymethyl)-4-methoxynaphthalen-1-yl]methyl]-1-methoxynaphthalen-2-yl]methanol
CID 10620308
1-methoxy-2-propylnaphthalene
CID 19091368
2-methoxy-1-[[2-methoxy-3-[(4-methoxynaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]-3-[(4-methoxynaphthalen-1-yl)methyl]naphthalene
CID 15852632
2-(hydroxysulfanylmethyl)-1-methoxynaphthalene
CID 166953563
2-(4-chlorobutyl)-1-methoxynaphthalene
CID 15617937
3-[3-[(1-methoxynaphthalen-2-yl)methyl]phenyl]thiophene
CID 139641972
3-methyl-1-[(3-methylphenanthren-1-yl)methyl]phenanthrene
CID 158013989
sodium 1-methoxynaphthalen-2-olate
CID 139799062
3-benzyl-1-(3-benzyl-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene
CID 176909607
3-(1-methoxynaphthalen-2-yl)-1-phenylpropan-1-one
CID 14472243
2-[(2-methoxyphenyl)methyl]naphthalen-1-ol
CID 15617840

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[[4-methoxy-3-[(1-methoxynaphthalen-2-yl)methyl]naphthalen-1-yl]methyl]-2-[(1-methoxynaphthalen-2-yl)methyl]naphthalene?
The IUPAC name of 1-methoxy-4-[[4-methoxy-3-[(1-methoxynaphthalen-2-yl)methyl]naphthalen-1-yl]methyl]-2-[(1-methoxynaphthalen-2-yl)methyl]naphthalene (CID 15852631) is 1-methoxy-4-[[4-methoxy-3-[(1-methoxynaphthalen-2-yl)methyl]naphthalen-1-yl]methyl]-2-[(1-methoxynaphthalen-2-yl)methyl]naphthalene.
What is the SMILES notation for 1-methoxy-4-[[4-methoxy-3-[(1-methoxynaphthalen-2-yl)methyl]naphthalen-1-yl]methyl]-2-[(1-methoxynaphthalen-2-yl)methyl]naphthalene?
The canonical SMILES for 1-methoxy-4-[[4-methoxy-3-[(1-methoxynaphthalen-2-yl)methyl]naphthalen-1-yl]methyl]-2-[(1-methoxynaphthalen-2-yl)methyl]naphthalene is COc1c(Cc2cc(Cc3cc(Cc4ccc5ccccc5c4OC)c(OC)c4ccccc34)c3ccccc3c2OC)ccc2ccccc12.
What is the InChIKey of 1-methoxy-4-[[4-methoxy-3-[(1-methoxynaphthalen-2-yl)methyl]naphthalen-1-yl]methyl]-2-[(1-methoxynaphthalen-2-yl)methyl]naphthalene?
The InChIKey is KYDHMUYJUQOVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H40O4/c1-48-44-32(23-21-30-13-5-7-17-40(30)44)25-36-28-34(38-15-9-11-19-42(38)46(36)50-3)27-35-29-37(47(51-4)43-20-12-10-16-39(35)43)26-33-24-22-31-14-6-8-18-41(31)45(33)49-2/h5-24,28-29H,25-27H2,1-4H3.
What are the key properties of 1-methoxy-4-[[4-methoxy-3-[(1-methoxynaphthalen-2-yl)methyl]naphthalen-1-yl]methyl]-2-[(1-methoxynaphthalen-2-yl)methyl]naphthalene?
1-methoxy-4-[[4-methoxy-3-[(1-methoxynaphthalen-2-yl)methyl]naphthalen-1-yl]methyl]-2-[(1-methoxynaphthalen-2-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 1-methoxy-4-[[4-methoxy-3-[(1-methoxynaphthalen-2-yl)methyl]naphthalen-1-yl]methyl]-2-[(1-methoxynaphthalen-2-yl)methyl]naphthalene is sourced from PubChem (CID 15852631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).