2-ethoxy-1-[2-ethoxy-6-[6-ethoxy-5-(2-ethoxynaphthalen-1-yl)naphthalen-2-yl]naphthalen-1-yl]-6-iodonaphthalene

C48H41IO4 — CID 10974840

IUPAC2-ethoxy-1-[2-ethoxy-6-[6-ethoxy-5-(2-ethoxynaphthalen-1-yl)naphthalen-2-yl]naphthalen-1-yl]-6-iodonaphthalene
SMILESCCOc1ccc2ccccc2c1-c1c(OCC)ccc2cc(-c3ccc4c(-c5c(OCC)ccc6cc(I)ccc56)c(OCC)ccc4c3)ccc12
InChIInChI=1S/C48H41IO4/c1-5-50-41-23-15-30-11-9-10-12-37(30)45(41)46-38-20-13-31(27-33(38)16-24-42(46)51-6-2)32-14-21-39-34(28-32)17-25-43(52-7-3)47(39)48-40-22-19-36(49)29-35(40)18-26-44(48)53-8-4/h9-29H,5-8H2,1-4H3
InChIKeyGNZKETDUVKBGHH-UHFFFAOYSA-N
MW808.76 g/mol
LogP13.50
Rot. Bonds11

About 2-ethoxy-1-[2-ethoxy-6-[6-ethoxy-5-(2-ethoxynaphthalen-1-yl)naphthalen-2-yl]naphthalen-1-yl]-6-iodonaphthalene

2-ethoxy-1-[2-ethoxy-6-[6-ethoxy-5-(2-ethoxynaphthalen-1-yl)naphthalen-2-yl]naphthalen-1-yl]-6-iodonaphthalene (PubChem CID 10974840) has the molecular formula C48H41IO4 and a molecular weight of 808.76 g/mol. Its IUPAC name is 2-ethoxy-1-[2-ethoxy-6-[6-ethoxy-5-(2-ethoxynaphthalen-1-yl)naphthalen-2-yl]naphthalen-1-yl]-6-iodonaphthalene.

Molecular Properties

Compound Name2-ethoxy-1-[2-ethoxy-6-[6-ethoxy-5-(2-ethoxynaphthalen-1-yl)naphthalen-2-yl]naphthalen-1-yl]-6-iodonaphthalene
PubChem CID10974840
Molecular FormulaC48H41IO4
Molecular Weight808.76 g/mol
Exact Mass808.20
IUPAC Name2-ethoxy-1-[2-ethoxy-6-[6-ethoxy-5-(2-ethoxynaphthalen-1-yl)naphthalen-2-yl]naphthalen-1-yl]-6-iodonaphthalene
SMILESCCOc1ccc2ccccc2c1-c1c(OCC)ccc2cc(-c3ccc4c(-c5c(OCC)ccc6cc(I)ccc56)c(OCC)ccc4c3)ccc12
InChIInChI=1S/C48H41IO4/c1-5-50-41-23-15-30-11-9-10-12-37(30)45(41)46-38-20-13-31(27-33(38)16-24-42(46)51-6-2)32-14-21-39-34(28-32)17-25-43(52-7-3)47(39)48-40-22-19-36(49)29-35(40)18-26-44(48)53-8-4/h9-29H,5-8H2,1-4H3
InChIKeyGNZKETDUVKBGHH-UHFFFAOYSA-N
XLogP13.50
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.76
LogP ≤ 513.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[2-(2-hydroxyethoxy)-6-naphthalen-2-ylnaphthalen-1-yl]-6-naphthalen-2-ylnaphthalen-2-yl]oxyethanol;2-[1-[2-(2-hydroxyethoxy)-6-phenylnaphthalen-1-yl]-6-phenylnaphthalen-2-yl]oxyethanol
CID 163740877
2-naphthalen-2-ylphenanthrene
CID 90738367
1,2-diethoxytetracene
CID 141276964
6-phenyl-1-(6-phenyl-2-prop-2-ynoxynaphthalen-1-yl)-2-prop-2-ynoxynaphthalene
CID 141246680
5-(6-carboxy-2-ethoxynaphthalen-1-yl)-6-ethoxynaphthalene-2-carboxylic acid
CID 162348534
5-(6-carbonochloridoyl-2-ethoxynaphthalen-1-yl)-6-ethoxynaphthalene-2-carbonyl chloride
CID 101085823
6-(6-iodonaphthalen-2-yl)-1,2-dipropylnaphthalene
CID 70999790
1-ethoxyphenanthrene
CID 19828992
ethyl 6-ethoxy-5-(2-ethoxy-6-ethoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate
CID 166059456
[1-(2-dimethylphosphanyloxynaphthalen-1-yl)naphthalen-2-yl]oxy-dimethylphosphane
CID 20820418
9-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene
CID 86701353
ethane;2-[6-(6-picen-2-ylnaphthalen-2-yl)naphthalen-2-yl]picene
CID 144660008

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[2-ethoxy-6-[6-ethoxy-5-(2-ethoxynaphthalen-1-yl)naphthalen-2-yl]naphthalen-1-yl]-6-iodonaphthalene?
The IUPAC name of 2-ethoxy-1-[2-ethoxy-6-[6-ethoxy-5-(2-ethoxynaphthalen-1-yl)naphthalen-2-yl]naphthalen-1-yl]-6-iodonaphthalene (CID 10974840) is 2-ethoxy-1-[2-ethoxy-6-[6-ethoxy-5-(2-ethoxynaphthalen-1-yl)naphthalen-2-yl]naphthalen-1-yl]-6-iodonaphthalene.
What is the SMILES notation for 2-ethoxy-1-[2-ethoxy-6-[6-ethoxy-5-(2-ethoxynaphthalen-1-yl)naphthalen-2-yl]naphthalen-1-yl]-6-iodonaphthalene?
The canonical SMILES for 2-ethoxy-1-[2-ethoxy-6-[6-ethoxy-5-(2-ethoxynaphthalen-1-yl)naphthalen-2-yl]naphthalen-1-yl]-6-iodonaphthalene is CCOc1ccc2ccccc2c1-c1c(OCC)ccc2cc(-c3ccc4c(-c5c(OCC)ccc6cc(I)ccc56)c(OCC)ccc4c3)ccc12.
What is the InChIKey of 2-ethoxy-1-[2-ethoxy-6-[6-ethoxy-5-(2-ethoxynaphthalen-1-yl)naphthalen-2-yl]naphthalen-1-yl]-6-iodonaphthalene?
The InChIKey is GNZKETDUVKBGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H41IO4/c1-5-50-41-23-15-30-11-9-10-12-37(30)45(41)46-38-20-13-31(27-33(38)16-24-42(46)51-6-2)32-14-21-39-34(28-32)17-25-43(52-7-3)47(39)48-40-22-19-36(49)29-35(40)18-26-44(48)53-8-4/h9-29H,5-8H2,1-4H3.
What are the key properties of 2-ethoxy-1-[2-ethoxy-6-[6-ethoxy-5-(2-ethoxynaphthalen-1-yl)naphthalen-2-yl]naphthalen-1-yl]-6-iodonaphthalene?
2-ethoxy-1-[2-ethoxy-6-[6-ethoxy-5-(2-ethoxynaphthalen-1-yl)naphthalen-2-yl]naphthalen-1-yl]-6-iodonaphthalene has a molecular weight of 808.76 g/mol, XLogP of 13.50, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[2-ethoxy-6-[6-ethoxy-5-(2-ethoxynaphthalen-1-yl)naphthalen-2-yl]naphthalen-1-yl]-6-iodonaphthalene is sourced from PubChem (CID 10974840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).