[6-methoxy-5-[2-methoxy-6-(naphthalene-1-carbonyl)naphthalen-1-yl]naphthalen-2-yl]-naphthalen-1-ylmethanone

C44H30O4 — CID 101460356

IUPAC[6-methoxy-5-[2-methoxy-6-(naphthalene-1-carbonyl)naphthalen-1-yl]naphthalen-2-yl]-naphthalen-1-ylmethanone
SMILESCOc1ccc2cc(C(=O)c3cccc4ccccc34)ccc2c1-c1c(OC)ccc2cc(C(=O)c3cccc4ccccc34)ccc12
InChIInChI=1S/C44H30O4/c1-47-39-23-19-29-25-31(43(45)37-15-7-11-27-9-3-5-13-33(27)37)17-21-35(29)41(39)42-36-22-18-32(26-30(36)20-24-40(42)48-2)44(46)38-16-8-12-28-10-4-6-14-34(28)38/h3-26H,1-2H3
InChIKeyHQZIUGWXANDNPK-UHFFFAOYSA-N
MW622.72 g/mol
LogP10.45
Rot. Bonds7

About [6-methoxy-5-[2-methoxy-6-(naphthalene-1-carbonyl)naphthalen-1-yl]naphthalen-2-yl]-naphthalen-1-ylmethanone

[6-methoxy-5-[2-methoxy-6-(naphthalene-1-carbonyl)naphthalen-1-yl]naphthalen-2-yl]-naphthalen-1-ylmethanone (PubChem CID 101460356) has the molecular formula C44H30O4 and a molecular weight of 622.72 g/mol. Its IUPAC name is [6-methoxy-5-[2-methoxy-6-(naphthalene-1-carbonyl)naphthalen-1-yl]naphthalen-2-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[6-methoxy-5-[2-methoxy-6-(naphthalene-1-carbonyl)naphthalen-1-yl]naphthalen-2-yl]-naphthalen-1-ylmethanone
PubChem CID101460356
Molecular FormulaC44H30O4
Molecular Weight622.72 g/mol
Exact Mass622.21
IUPAC Name[6-methoxy-5-[2-methoxy-6-(naphthalene-1-carbonyl)naphthalen-1-yl]naphthalen-2-yl]-naphthalen-1-ylmethanone
SMILESCOc1ccc2cc(C(=O)c3cccc4ccccc34)ccc2c1-c1c(OC)ccc2cc(C(=O)c3cccc4ccccc34)ccc12
InChIInChI=1S/C44H30O4/c1-47-39-23-19-29-25-31(43(45)37-15-7-11-27-9-3-5-13-33(27)37)17-21-35(29)41(39)42-36-22-18-32(26-30(36)20-24-40(42)48-2)44(46)38-16-8-12-28-10-4-6-14-34(28)38/h3-26H,1-2H3
InChIKeyHQZIUGWXANDNPK-UHFFFAOYSA-N
XLogP10.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.72
LogP ≤ 510.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[6-methoxy-5-[2-methoxy-6-(4-methoxybenzoyl)naphthalen-1-yl]naphthalen-2-yl]-(4-methoxyphenyl)methanone
CID 11204032
(2,7-dimethoxynaphthalen-1-yl)-naphthalen-1-ylmethanone
CID 139085652
(2,5-dimethoxyphenyl)-naphthalen-1-ylmethanone
CID 146006285
(3-bromo-2-methoxyphenyl)-naphthalen-2-ylmethanone
CID 19432000
(3,4-dimethoxyphenyl)-naphthalen-1-ylmethanone;(Z)-3-(3,4-dimethoxyphenyl)-3-naphthalen-1-ylprop-2-enenitrile
CID 67614321
7-(2-methoxynaphthalen-1-yl)benzo[a]anthracene
CID 71619168
1-(4-methoxyphenyl)-4-naphthalen-1-ylbutane-1,4-dione
CID 14529191
(3,6-dimethoxynaphthalen-2-yl)-naphthalen-2-ylmethanone
CID 123555772
(3-bromo-4-methoxyphenyl)-isoquinolin-5-ylmethanone
CID 114971003
(1-methoxynaphthalen-2-yl)-(4-methoxyphenyl)methanone;(3-methoxynaphthalen-2-yl)-(4-methoxyphenyl)methanone;(4-methoxynaphthalen-2-yl)-(4-methoxyphenyl)methanone;(6-methoxynaphthalen-2-yl)-(4-methoxyphenyl)methanone;(7-methoxynaphthalen-2-yl)-(4-methoxyphenyl)methanone;(1-methoxynaphthalen-2-yl)-phenylmethanone;(3-methoxynaphthalen-2-yl)-phenylmethanone;(4-methoxynaphthalen-2-yl)-phenylmethanone
CID 159594087
[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]oxyphosphane
CID 129073654
phenanthren-2-yl(phenyl)methanone
CID 131857195

Frequently Asked Questions

What is the IUPAC name of [6-methoxy-5-[2-methoxy-6-(naphthalene-1-carbonyl)naphthalen-1-yl]naphthalen-2-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [6-methoxy-5-[2-methoxy-6-(naphthalene-1-carbonyl)naphthalen-1-yl]naphthalen-2-yl]-naphthalen-1-ylmethanone (CID 101460356) is [6-methoxy-5-[2-methoxy-6-(naphthalene-1-carbonyl)naphthalen-1-yl]naphthalen-2-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [6-methoxy-5-[2-methoxy-6-(naphthalene-1-carbonyl)naphthalen-1-yl]naphthalen-2-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [6-methoxy-5-[2-methoxy-6-(naphthalene-1-carbonyl)naphthalen-1-yl]naphthalen-2-yl]-naphthalen-1-ylmethanone is COc1ccc2cc(C(=O)c3cccc4ccccc34)ccc2c1-c1c(OC)ccc2cc(C(=O)c3cccc4ccccc34)ccc12.
What is the InChIKey of [6-methoxy-5-[2-methoxy-6-(naphthalene-1-carbonyl)naphthalen-1-yl]naphthalen-2-yl]-naphthalen-1-ylmethanone?
The InChIKey is HQZIUGWXANDNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30O4/c1-47-39-23-19-29-25-31(43(45)37-15-7-11-27-9-3-5-13-33(27)37)17-21-35(29)41(39)42-36-22-18-32(26-30(36)20-24-40(42)48-2)44(46)38-16-8-12-28-10-4-6-14-34(28)38/h3-26H,1-2H3.
What are the key properties of [6-methoxy-5-[2-methoxy-6-(naphthalene-1-carbonyl)naphthalen-1-yl]naphthalen-2-yl]-naphthalen-1-ylmethanone?
[6-methoxy-5-[2-methoxy-6-(naphthalene-1-carbonyl)naphthalen-1-yl]naphthalen-2-yl]-naphthalen-1-ylmethanone has a molecular weight of 622.72 g/mol, XLogP of 10.45, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-5-[2-methoxy-6-(naphthalene-1-carbonyl)naphthalen-1-yl]naphthalen-2-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 101460356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).