1,5-bis(6-methoxynaphthalen-2-yl)-3-[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]pentane-1,5-dione

C40H34O6 — CID 10793824

IUPAC1,5-bis(6-methoxynaphthalen-2-yl)-3-[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]pentane-1,5-dione
SMILESCOc1ccc2cc(C(=O)CC(CC(=O)c3ccc4cc(OC)ccc4c3)CC(=O)c3ccc4cc(OC)ccc4c3)ccc2c1
InChIInChI=1S/C40H34O6/c1-44-35-13-10-26-19-32(7-4-29(26)22-35)38(41)16-25(17-39(42)33-8-5-30-23-36(45-2)14-11-27(30)20-33)18-40(43)34-9-6-31-24-37(46-3)15-12-28(31)21-34/h4-15,19-25H,16-18H2,1-3H3
InChIKeyCLQSALYZFFFWKJ-UHFFFAOYSA-N
MW610.71 g/mol
LogP8.91
Rot. Bonds12

About 1,5-bis(6-methoxynaphthalen-2-yl)-3-[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]pentane-1,5-dione

1,5-bis(6-methoxynaphthalen-2-yl)-3-[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]pentane-1,5-dione (PubChem CID 10793824) has the molecular formula C40H34O6 and a molecular weight of 610.71 g/mol. Its IUPAC name is 1,5-bis(6-methoxynaphthalen-2-yl)-3-[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]pentane-1,5-dione.

Molecular Properties

Compound Name1,5-bis(6-methoxynaphthalen-2-yl)-3-[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]pentane-1,5-dione
PubChem CID10793824
Molecular FormulaC40H34O6
Molecular Weight610.71 g/mol
Exact Mass610.24
IUPAC Name1,5-bis(6-methoxynaphthalen-2-yl)-3-[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]pentane-1,5-dione
SMILESCOc1ccc2cc(C(=O)CC(CC(=O)c3ccc4cc(OC)ccc4c3)CC(=O)c3ccc4cc(OC)ccc4c3)ccc2c1
InChIInChI=1S/C40H34O6/c1-44-35-13-10-26-19-32(7-4-29(26)22-35)38(41)16-25(17-39(42)33-8-5-30-23-36(45-2)14-11-27(30)20-33)18-40(43)34-9-6-31-24-37(46-3)15-12-28(31)21-34/h4-15,19-25H,16-18H2,1-3H3
InChIKeyCLQSALYZFFFWKJ-UHFFFAOYSA-N
XLogP8.91
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.71
LogP ≤ 58.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]azanium chloride
CID 141138578
1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione
CID 102495157
3-amino-1-(6-methoxynaphthalen-2-yl)propan-1-one
CID 116915440
2-[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]sulfanylacetic acid
CID 146004513
4-bromo-1-(6-methoxynaphthalen-2-yl)butan-1-one
CID 146007341
ethyl 2-[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]-3-oxohexanoate
CID 154119753
4-(6-methoxynaphthalen-2-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 65298740
3-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride
CID 2751547
1-(6-methoxynaphthalen-2-yl)tetradecan-1-one
CID 608289
1-(6-methoxynaphthalen-2-yl)-2-(4-methylphenyl)ethanone
CID 135061178
2-cyclohexyl-1-(6-methoxynaphthalen-2-yl)ethanone
CID 63491322
3-cyclohexyl-3-iodo-1-(4-methoxyphenyl)propan-1-one
CID 22934298

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(6-methoxynaphthalen-2-yl)-3-[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]pentane-1,5-dione?
The IUPAC name of 1,5-bis(6-methoxynaphthalen-2-yl)-3-[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]pentane-1,5-dione (CID 10793824) is 1,5-bis(6-methoxynaphthalen-2-yl)-3-[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]pentane-1,5-dione.
What is the SMILES notation for 1,5-bis(6-methoxynaphthalen-2-yl)-3-[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]pentane-1,5-dione?
The canonical SMILES for 1,5-bis(6-methoxynaphthalen-2-yl)-3-[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]pentane-1,5-dione is COc1ccc2cc(C(=O)CC(CC(=O)c3ccc4cc(OC)ccc4c3)CC(=O)c3ccc4cc(OC)ccc4c3)ccc2c1.
What is the InChIKey of 1,5-bis(6-methoxynaphthalen-2-yl)-3-[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]pentane-1,5-dione?
The InChIKey is CLQSALYZFFFWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34O6/c1-44-35-13-10-26-19-32(7-4-29(26)22-35)38(41)16-25(17-39(42)33-8-5-30-23-36(45-2)14-11-27(30)20-33)18-40(43)34-9-6-31-24-37(46-3)15-12-28(31)21-34/h4-15,19-25H,16-18H2,1-3H3.
What are the key properties of 1,5-bis(6-methoxynaphthalen-2-yl)-3-[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]pentane-1,5-dione?
1,5-bis(6-methoxynaphthalen-2-yl)-3-[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]pentane-1,5-dione has a molecular weight of 610.71 g/mol, XLogP of 8.91, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(6-methoxynaphthalen-2-yl)-3-[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]pentane-1,5-dione is sourced from PubChem (CID 10793824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).