2-(3,4,5-trimethoxyphenyl)-1-[2-(3,4,5-trimethoxyphenyl)naphthalen-1-yl]selenonylnaphthalene

C38H34O8Se — CID 141321863

IUPAC2-(3,4,5-trimethoxyphenyl)-1-[2-(3,4,5-trimethoxyphenyl)naphthalen-1-yl]selenonylnaphthalene
SMILESCOc1cc(-c2ccc3ccccc3c2[Se](=O)(=O)c2c(-c3cc(OC)c(OC)c(OC)c3)ccc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C38H34O8Se/c1-41-31-19-25(20-32(42-2)35(31)45-5)29-17-15-23-11-7-9-13-27(23)37(29)47(39,40)38-28-14-10-8-12-24(28)16-18-30(38)26-21-33(43-3)36(46-6)34(22-26)44-4/h7-22H,1-6H3
InChIKeyRDVLQFWFCGTVJG-UHFFFAOYSA-N
MW697.64 g/mol
LogP6.80
Rot. Bonds10

About 2-(3,4,5-trimethoxyphenyl)-1-[2-(3,4,5-trimethoxyphenyl)naphthalen-1-yl]selenonylnaphthalene

2-(3,4,5-trimethoxyphenyl)-1-[2-(3,4,5-trimethoxyphenyl)naphthalen-1-yl]selenonylnaphthalene (PubChem CID 141321863) has the molecular formula C38H34O8Se and a molecular weight of 697.64 g/mol. Its IUPAC name is 2-(3,4,5-trimethoxyphenyl)-1-[2-(3,4,5-trimethoxyphenyl)naphthalen-1-yl]selenonylnaphthalene.

Molecular Properties

Compound Name2-(3,4,5-trimethoxyphenyl)-1-[2-(3,4,5-trimethoxyphenyl)naphthalen-1-yl]selenonylnaphthalene
PubChem CID141321863
Molecular FormulaC38H34O8Se
Molecular Weight697.64 g/mol
Exact Mass698.14
IUPAC Name2-(3,4,5-trimethoxyphenyl)-1-[2-(3,4,5-trimethoxyphenyl)naphthalen-1-yl]selenonylnaphthalene
SMILESCOc1cc(-c2ccc3ccccc3c2[Se](=O)(=O)c2c(-c3cc(OC)c(OC)c(OC)c3)ccc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C38H34O8Se/c1-41-31-19-25(20-32(42-2)35(31)45-5)29-17-15-23-11-7-9-13-27(23)37(29)47(39,40)38-28-14-10-8-12-24(28)16-18-30(38)26-21-33(43-3)36(46-6)34(22-26)44-4/h7-22H,1-6H3
InChIKeyRDVLQFWFCGTVJG-UHFFFAOYSA-N
XLogP6.80
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.64
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-(3,4,5-trimethoxyphenyl)naphthalen-2-ol
CID 102188168
2-(3,4,5-trimethoxyphenyl)chromenylium
CID 12986342
3-(3,4,5-trimethoxyphenyl)benzo[f]chromen-1-one
CID 5073343
6-methoxychrysene
CID 12935769
2-methoxy-1-(trimethyl-λ4-selanyl)naphthalene
CID 175262224
2-naphthalen-1-yl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 2517988
5-methoxybenzo[c]phenanthrene
CID 621003
1,2,3-trimethoxy-5-[2-phenyl-6-(3,4,5-trimethoxyphenyl)phenyl]benzene
CID 174734654
2-methoxy-6-(4-methoxynaphthalen-2-yl)-N,N-di(propan-2-yl)benzamide
CID 18692667
2-[2-(4-methoxynaphthalen-2-yl)phenyl]butanoic acid
CID 72942498
2-(3,4-dimethoxy-5-phenylmethoxyphenyl)quinoline
CID 140606301
5,6-dimethoxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-one
CID 12690611

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,5-trimethoxyphenyl)-1-[2-(3,4,5-trimethoxyphenyl)naphthalen-1-yl]selenonylnaphthalene?
The IUPAC name of 2-(3,4,5-trimethoxyphenyl)-1-[2-(3,4,5-trimethoxyphenyl)naphthalen-1-yl]selenonylnaphthalene (CID 141321863) is 2-(3,4,5-trimethoxyphenyl)-1-[2-(3,4,5-trimethoxyphenyl)naphthalen-1-yl]selenonylnaphthalene.
What is the SMILES notation for 2-(3,4,5-trimethoxyphenyl)-1-[2-(3,4,5-trimethoxyphenyl)naphthalen-1-yl]selenonylnaphthalene?
The canonical SMILES for 2-(3,4,5-trimethoxyphenyl)-1-[2-(3,4,5-trimethoxyphenyl)naphthalen-1-yl]selenonylnaphthalene is COc1cc(-c2ccc3ccccc3c2[Se](=O)(=O)c2c(-c3cc(OC)c(OC)c(OC)c3)ccc3ccccc23)cc(OC)c1OC.
What is the InChIKey of 2-(3,4,5-trimethoxyphenyl)-1-[2-(3,4,5-trimethoxyphenyl)naphthalen-1-yl]selenonylnaphthalene?
The InChIKey is RDVLQFWFCGTVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34O8Se/c1-41-31-19-25(20-32(42-2)35(31)45-5)29-17-15-23-11-7-9-13-27(23)37(29)47(39,40)38-28-14-10-8-12-24(28)16-18-30(38)26-21-33(43-3)36(46-6)34(22-26)44-4/h7-22H,1-6H3.
What are the key properties of 2-(3,4,5-trimethoxyphenyl)-1-[2-(3,4,5-trimethoxyphenyl)naphthalen-1-yl]selenonylnaphthalene?
2-(3,4,5-trimethoxyphenyl)-1-[2-(3,4,5-trimethoxyphenyl)naphthalen-1-yl]selenonylnaphthalene has a molecular weight of 697.64 g/mol, XLogP of 6.80, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,5-trimethoxyphenyl)-1-[2-(3,4,5-trimethoxyphenyl)naphthalen-1-yl]selenonylnaphthalene is sourced from PubChem (CID 141321863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).