[6-methoxy-5-[2-methoxy-6-(4-methoxybenzoyl)naphthalen-1-yl]naphthalen-2-yl]-(4-methoxyphenyl)methanone

C38H30O6 — CID 11204032

IUPAC[6-methoxy-5-[2-methoxy-6-(4-methoxybenzoyl)naphthalen-1-yl]naphthalen-2-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc3c(-c4c(OC)ccc5cc(C(=O)c6ccc(OC)cc6)ccc45)c(OC)ccc3c2)cc1
InChIInChI=1S/C38H30O6/c1-41-29-13-5-23(6-14-29)37(39)27-9-17-31-25(21-27)11-19-33(43-3)35(31)36-32-18-10-28(22-26(32)12-20-34(36)44-4)38(40)24-7-15-30(42-2)16-8-24/h5-22H,1-4H3
InChIKeyDXXRQQCVQNTGHO-UHFFFAOYSA-N
MW582.65 g/mol
LogP8.16
Rot. Bonds9

About [6-methoxy-5-[2-methoxy-6-(4-methoxybenzoyl)naphthalen-1-yl]naphthalen-2-yl]-(4-methoxyphenyl)methanone

[6-methoxy-5-[2-methoxy-6-(4-methoxybenzoyl)naphthalen-1-yl]naphthalen-2-yl]-(4-methoxyphenyl)methanone (PubChem CID 11204032) has the molecular formula C38H30O6 and a molecular weight of 582.65 g/mol. Its IUPAC name is [6-methoxy-5-[2-methoxy-6-(4-methoxybenzoyl)naphthalen-1-yl]naphthalen-2-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[6-methoxy-5-[2-methoxy-6-(4-methoxybenzoyl)naphthalen-1-yl]naphthalen-2-yl]-(4-methoxyphenyl)methanone
PubChem CID11204032
Molecular FormulaC38H30O6
Molecular Weight582.65 g/mol
Exact Mass582.20
IUPAC Name[6-methoxy-5-[2-methoxy-6-(4-methoxybenzoyl)naphthalen-1-yl]naphthalen-2-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc3c(-c4c(OC)ccc5cc(C(=O)c6ccc(OC)cc6)ccc45)c(OC)ccc3c2)cc1
InChIInChI=1S/C38H30O6/c1-41-29-13-5-23(6-14-29)37(39)27-9-17-31-25(21-27)11-19-33(43-3)35(31)36-32-18-10-28(22-26(32)12-20-34(36)44-4)38(40)24-7-15-30(42-2)16-8-24/h5-22H,1-4H3
InChIKeyDXXRQQCVQNTGHO-UHFFFAOYSA-N
XLogP8.16
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.65
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[6-methoxy-5-[2-methoxy-6-(naphthalene-1-carbonyl)naphthalen-1-yl]naphthalen-2-yl]-naphthalen-1-ylmethanone
CID 101460356
4-(6-methoxynaphthalene-2-carbonyl)benzoic acid
CID 70129561
[6-methoxy-3,7-bis(4-methoxyphenyl)-1H-indol-2-yl]-(4-methoxyphenyl)methanone
CID 71723332
2,6-dimethoxy-1-(4-methoxyphenyl)naphthalene
CID 139203574
(3,4-dimethylphenyl)-(4-methoxy-3-methylphenyl)methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 162090190
(3,4-dimethylphenyl)-[4-(4-methoxyphenoxy)-3-methylphenyl]methanone
CID 59022177
(3,4-dichlorophenyl)-(4-methoxyphenyl)methanone
CID 2758123
(4-methoxyphenyl)-(5-methylfuran-3-yl)methanone
CID 114819430
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
[2-(2,3-dimethoxyphenyl)-6-methoxynaphthalen-1-yl]-(4-methoxyphenyl)methanone
CID 19362260
1-(6-methoxy-5-methylnaphthalen-2-yl)ethanone
CID 20641233
(3,4-dichlorophenyl)-(6-methoxynaphthalen-2-yl)methanone
CID 146007325

Frequently Asked Questions

What is the IUPAC name of [6-methoxy-5-[2-methoxy-6-(4-methoxybenzoyl)naphthalen-1-yl]naphthalen-2-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [6-methoxy-5-[2-methoxy-6-(4-methoxybenzoyl)naphthalen-1-yl]naphthalen-2-yl]-(4-methoxyphenyl)methanone (CID 11204032) is [6-methoxy-5-[2-methoxy-6-(4-methoxybenzoyl)naphthalen-1-yl]naphthalen-2-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [6-methoxy-5-[2-methoxy-6-(4-methoxybenzoyl)naphthalen-1-yl]naphthalen-2-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [6-methoxy-5-[2-methoxy-6-(4-methoxybenzoyl)naphthalen-1-yl]naphthalen-2-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2ccc3c(-c4c(OC)ccc5cc(C(=O)c6ccc(OC)cc6)ccc45)c(OC)ccc3c2)cc1.
What is the InChIKey of [6-methoxy-5-[2-methoxy-6-(4-methoxybenzoyl)naphthalen-1-yl]naphthalen-2-yl]-(4-methoxyphenyl)methanone?
The InChIKey is DXXRQQCVQNTGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30O6/c1-41-29-13-5-23(6-14-29)37(39)27-9-17-31-25(21-27)11-19-33(43-3)35(31)36-32-18-10-28(22-26(32)12-20-34(36)44-4)38(40)24-7-15-30(42-2)16-8-24/h5-22H,1-4H3.
What are the key properties of [6-methoxy-5-[2-methoxy-6-(4-methoxybenzoyl)naphthalen-1-yl]naphthalen-2-yl]-(4-methoxyphenyl)methanone?
[6-methoxy-5-[2-methoxy-6-(4-methoxybenzoyl)naphthalen-1-yl]naphthalen-2-yl]-(4-methoxyphenyl)methanone has a molecular weight of 582.65 g/mol, XLogP of 8.16, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-5-[2-methoxy-6-(4-methoxybenzoyl)naphthalen-1-yl]naphthalen-2-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 11204032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).