2-(2-butylphenyl)-1-[2-(2-butylphenyl)naphthalen-1-yl]oxynaphthalene

C40H38O — CID 67797892

IUPAC2-(2-butylphenyl)-1-[2-(2-butylphenyl)naphthalen-1-yl]oxynaphthalene
SMILESCCCCc1ccccc1-c1ccc2ccccc2c1Oc1c(-c2ccccc2CCCC)ccc2ccccc12
InChIInChI=1S/C40H38O/c1-3-5-15-29-17-7-11-21-33(29)37-27-25-31-19-9-13-23-35(31)39(37)41-40-36-24-14-10-20-32(36)26-28-38(40)34-22-12-8-18-30(34)16-6-4-2/h7-14,17-28H,3-6,15-16H2,1-2H3
InChIKeyOTIYNSDHRSJUNI-UHFFFAOYSA-N
MW534.74 g/mol
LogP11.80
Rot. Bonds10

About 2-(2-butylphenyl)-1-[2-(2-butylphenyl)naphthalen-1-yl]oxynaphthalene

2-(2-butylphenyl)-1-[2-(2-butylphenyl)naphthalen-1-yl]oxynaphthalene (PubChem CID 67797892) has the molecular formula C40H38O and a molecular weight of 534.74 g/mol. Its IUPAC name is 2-(2-butylphenyl)-1-[2-(2-butylphenyl)naphthalen-1-yl]oxynaphthalene.

Molecular Properties

Compound Name2-(2-butylphenyl)-1-[2-(2-butylphenyl)naphthalen-1-yl]oxynaphthalene
PubChem CID67797892
Molecular FormulaC40H38O
Molecular Weight534.74 g/mol
Exact Mass534.29
IUPAC Name2-(2-butylphenyl)-1-[2-(2-butylphenyl)naphthalen-1-yl]oxynaphthalene
SMILESCCCCc1ccccc1-c1ccc2ccccc2c1Oc1c(-c2ccccc2CCCC)ccc2ccccc12
InChIInChI=1S/C40H38O/c1-3-5-15-29-17-7-11-21-33(29)37-27-25-31-19-9-13-23-35(31)39(37)41-40-36-24-14-10-20-32(36)26-28-38(40)34-22-12-8-18-30(34)16-6-4-2/h7-14,17-28H,3-6,15-16H2,1-2H3
InChIKeyOTIYNSDHRSJUNI-UHFFFAOYSA-N
XLogP11.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.74
LogP ≤ 511.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-dodecylphenyl)naphthalen-1-amine
CID 67724927
1-butylnaphthalene;ethane
CID 142087052
2-(2-butylphenyl)naphthalene
CID 58626566
azane;1-butylnaphthalene;methane
CID 174691035
2-butyl-1-(2-butylnaphthalen-1-yl)naphthalene
CID 59129933
2-(2-butan-2-ylphenyl)-1-[2-(2-butan-2-ylphenyl)naphthalen-1-yl]oxynaphthalene
CID 19871018
1,2-dibutylnaphthalene;naphthalene
CID 157292740
2-butyl-1-(4-tert-butylphenoxy)naphthalene
CID 134929474
1-tetradecylnaphthalene
CID 14402128
3-(2-butylphenyl)-6-chloro-2-fluoropyridine
CID 173372518
CID 159940559
CID 159940559
2-ethyl-1-(2-ethylnaphthalen-1-yl)oxynaphthalene
CID 23191166

Frequently Asked Questions

What is the IUPAC name of 2-(2-butylphenyl)-1-[2-(2-butylphenyl)naphthalen-1-yl]oxynaphthalene?
The IUPAC name of 2-(2-butylphenyl)-1-[2-(2-butylphenyl)naphthalen-1-yl]oxynaphthalene (CID 67797892) is 2-(2-butylphenyl)-1-[2-(2-butylphenyl)naphthalen-1-yl]oxynaphthalene.
What is the SMILES notation for 2-(2-butylphenyl)-1-[2-(2-butylphenyl)naphthalen-1-yl]oxynaphthalene?
The canonical SMILES for 2-(2-butylphenyl)-1-[2-(2-butylphenyl)naphthalen-1-yl]oxynaphthalene is CCCCc1ccccc1-c1ccc2ccccc2c1Oc1c(-c2ccccc2CCCC)ccc2ccccc12.
What is the InChIKey of 2-(2-butylphenyl)-1-[2-(2-butylphenyl)naphthalen-1-yl]oxynaphthalene?
The InChIKey is OTIYNSDHRSJUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H38O/c1-3-5-15-29-17-7-11-21-33(29)37-27-25-31-19-9-13-23-35(31)39(37)41-40-36-24-14-10-20-32(36)26-28-38(40)34-22-12-8-18-30(34)16-6-4-2/h7-14,17-28H,3-6,15-16H2,1-2H3.
What are the key properties of 2-(2-butylphenyl)-1-[2-(2-butylphenyl)naphthalen-1-yl]oxynaphthalene?
2-(2-butylphenyl)-1-[2-(2-butylphenyl)naphthalen-1-yl]oxynaphthalene has a molecular weight of 534.74 g/mol, XLogP of 11.80, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butylphenyl)-1-[2-(2-butylphenyl)naphthalen-1-yl]oxynaphthalene is sourced from PubChem (CID 67797892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).