2-(2-butan-2-ylphenyl)-1-[2-(2-butan-2-ylphenyl)naphthalen-1-yl]oxynaphthalene

C40H38O — CID 19871018

IUPAC2-(2-butan-2-ylphenyl)-1-[2-(2-butan-2-ylphenyl)naphthalen-1-yl]oxynaphthalene
SMILESCCC(C)c1ccccc1-c1ccc2ccccc2c1Oc1c(-c2ccccc2C(C)CC)ccc2ccccc12
InChIInChI=1S/C40H38O/c1-5-27(3)31-17-11-13-21-35(31)37-25-23-29-15-7-9-19-33(29)39(37)41-40-34-20-10-8-16-30(34)24-26-38(40)36-22-14-12-18-32(36)28(4)6-2/h7-28H,5-6H2,1-4H3
InChIKeyKRNCAIHHOBJHOB-UHFFFAOYSA-N
MW534.74 g/mol
LogP12.15
Rot. Bonds8

About 2-(2-butan-2-ylphenyl)-1-[2-(2-butan-2-ylphenyl)naphthalen-1-yl]oxynaphthalene

2-(2-butan-2-ylphenyl)-1-[2-(2-butan-2-ylphenyl)naphthalen-1-yl]oxynaphthalene (PubChem CID 19871018) has the molecular formula C40H38O and a molecular weight of 534.74 g/mol. Its IUPAC name is 2-(2-butan-2-ylphenyl)-1-[2-(2-butan-2-ylphenyl)naphthalen-1-yl]oxynaphthalene.

Molecular Properties

Compound Name2-(2-butan-2-ylphenyl)-1-[2-(2-butan-2-ylphenyl)naphthalen-1-yl]oxynaphthalene
PubChem CID19871018
Molecular FormulaC40H38O
Molecular Weight534.74 g/mol
Exact Mass534.29
IUPAC Name2-(2-butan-2-ylphenyl)-1-[2-(2-butan-2-ylphenyl)naphthalen-1-yl]oxynaphthalene
SMILESCCC(C)c1ccccc1-c1ccc2ccccc2c1Oc1c(-c2ccccc2C(C)CC)ccc2ccccc12
InChIInChI=1S/C40H38O/c1-5-27(3)31-17-11-13-21-35(31)37-25-23-29-15-7-9-19-33(29)39(37)41-40-34-20-10-8-16-30(34)24-26-38(40)36-22-14-12-18-32(36)28(4)6-2/h7-28H,5-6H2,1-4H3
InChIKeyKRNCAIHHOBJHOB-UHFFFAOYSA-N
XLogP12.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.74
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-butan-2-ylphenyl)-3-methylnaphthalene
CID 144741250
2-(2-butylphenyl)-1-[2-(2-butylphenyl)naphthalen-1-yl]oxynaphthalene
CID 67797892
1-[(2R)-butan-2-yl]naphthalene;pentane
CID 142150914
[2,7-bis(2-butan-2-ylphenyl)-9H-fluoren-9-yl]-dimethyl-(1-prop-2-enoxynaphthalen-2-yl)silane
CID 67206851
2-ethyl-1-(2-ethylnaphthalen-1-yl)oxynaphthalene
CID 23191166
4-butan-2-ylpyrene
CID 155644437
2-(2-butan-2-ylphenyl)naphthalene;5-methyl-6-(2-methylphenyl)benzo[c]phenanthrene
CID 144754286
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
1-butan-2-yl-2-propan-2-ylbenzene;ethane
CID 143715642
CID 173190100
CID 173190100
3-butan-2-ylperylene
CID 22974645
2-(2-butan-2-ylphenyl)-1-methyl-4,5-dihydroimidazole
CID 144582436

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylphenyl)-1-[2-(2-butan-2-ylphenyl)naphthalen-1-yl]oxynaphthalene?
The IUPAC name of 2-(2-butan-2-ylphenyl)-1-[2-(2-butan-2-ylphenyl)naphthalen-1-yl]oxynaphthalene (CID 19871018) is 2-(2-butan-2-ylphenyl)-1-[2-(2-butan-2-ylphenyl)naphthalen-1-yl]oxynaphthalene.
What is the SMILES notation for 2-(2-butan-2-ylphenyl)-1-[2-(2-butan-2-ylphenyl)naphthalen-1-yl]oxynaphthalene?
The canonical SMILES for 2-(2-butan-2-ylphenyl)-1-[2-(2-butan-2-ylphenyl)naphthalen-1-yl]oxynaphthalene is CCC(C)c1ccccc1-c1ccc2ccccc2c1Oc1c(-c2ccccc2C(C)CC)ccc2ccccc12.
What is the InChIKey of 2-(2-butan-2-ylphenyl)-1-[2-(2-butan-2-ylphenyl)naphthalen-1-yl]oxynaphthalene?
The InChIKey is KRNCAIHHOBJHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H38O/c1-5-27(3)31-17-11-13-21-35(31)37-25-23-29-15-7-9-19-33(29)39(37)41-40-34-20-10-8-16-30(34)24-26-38(40)36-22-14-12-18-32(36)28(4)6-2/h7-28H,5-6H2,1-4H3.
What are the key properties of 2-(2-butan-2-ylphenyl)-1-[2-(2-butan-2-ylphenyl)naphthalen-1-yl]oxynaphthalene?
2-(2-butan-2-ylphenyl)-1-[2-(2-butan-2-ylphenyl)naphthalen-1-yl]oxynaphthalene has a molecular weight of 534.74 g/mol, XLogP of 12.15, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-ylphenyl)-1-[2-(2-butan-2-ylphenyl)naphthalen-1-yl]oxynaphthalene is sourced from PubChem (CID 19871018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).