2-(2-cyclobutyl-3-naphthalen-2-ylpropyl)naphthalene

C27H26 — CID 57017879

IUPAC2-(2-cyclobutyl-3-naphthalen-2-ylpropyl)naphthalene
SMILESc1ccc2cc(CC(Cc3ccc4ccccc4c3)C3CCC3)ccc2c1
InChIInChI=1S/C27H26/c1-3-8-25-16-20(12-14-23(25)6-1)18-27(22-10-5-11-22)19-21-13-15-24-7-2-4-9-26(24)17-21/h1-4,6-9,12-17,22,27H,5,10-11,18-19H2
InChIKeyUWGUNDZMVRWEAK-UHFFFAOYSA-N
MW350.51 g/mol
LogP7.19
Rot. Bonds5

About 2-(2-cyclobutyl-3-naphthalen-2-ylpropyl)naphthalene

2-(2-cyclobutyl-3-naphthalen-2-ylpropyl)naphthalene (PubChem CID 57017879) has the molecular formula C27H26 and a molecular weight of 350.51 g/mol. Its IUPAC name is 2-(2-cyclobutyl-3-naphthalen-2-ylpropyl)naphthalene.

Molecular Properties

Compound Name2-(2-cyclobutyl-3-naphthalen-2-ylpropyl)naphthalene
PubChem CID57017879
Molecular FormulaC27H26
Molecular Weight350.51 g/mol
Exact Mass350.20
IUPAC Name2-(2-cyclobutyl-3-naphthalen-2-ylpropyl)naphthalene
SMILESc1ccc2cc(CC(Cc3ccc4ccccc4c3)C3CCC3)ccc2c1
InChIInChI=1S/C27H26/c1-3-8-25-16-20(12-14-23(25)6-1)18-27(22-10-5-11-22)19-21-13-15-24-7-2-4-9-26(24)17-21/h1-4,6-9,12-17,22,27H,5,10-11,18-19H2
InChIKeyUWGUNDZMVRWEAK-UHFFFAOYSA-N
XLogP7.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.51
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(2-cyclobutyl-3-naphthalen-2-ylpropyl)thiophene
CID 57257554
2-(3-cyclohexyl-2-cyclopentylpropyl)naphthalene
CID 57267365
2-(2-bromo-2-cyclopentylethyl)naphthalene
CID 63543408
2-[2-chloro-2-(2-methylcyclopentyl)ethyl]naphthalene
CID 107183500
2-[2-(cyclohexylmethyl)-3-methylpentyl]naphthalene
CID 57064736
2-(cyclopropylmethyl)naphthalene
CID 19063908
trans-(2S,6S)-2,6-bis(naphthalen-2-ylmethyl)cyclohexan-1-one
CID 129302121
6-(naphthalen-2-ylmethyl)bicyclo[3.1.0]hexan-6-ol
CID 79330727
N-(naphthalen-2-ylmethyl)cyclopropanamine;hydrochloride
CID 67542592
1-cyclohexyl-N-[1,3-dinaphthalen-2-ylpropan-2-yloxy(methoxy)boranyl]ethanamine
CID 142124690
2-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]naphthalene
CID 107183620
2-(naphthalen-2-ylmethyl)naphthalene
CID 14123480

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutyl-3-naphthalen-2-ylpropyl)naphthalene?
The IUPAC name of 2-(2-cyclobutyl-3-naphthalen-2-ylpropyl)naphthalene (CID 57017879) is 2-(2-cyclobutyl-3-naphthalen-2-ylpropyl)naphthalene.
What is the SMILES notation for 2-(2-cyclobutyl-3-naphthalen-2-ylpropyl)naphthalene?
The canonical SMILES for 2-(2-cyclobutyl-3-naphthalen-2-ylpropyl)naphthalene is c1ccc2cc(CC(Cc3ccc4ccccc4c3)C3CCC3)ccc2c1.
What is the InChIKey of 2-(2-cyclobutyl-3-naphthalen-2-ylpropyl)naphthalene?
The InChIKey is UWGUNDZMVRWEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26/c1-3-8-25-16-20(12-14-23(25)6-1)18-27(22-10-5-11-22)19-21-13-15-24-7-2-4-9-26(24)17-21/h1-4,6-9,12-17,22,27H,5,10-11,18-19H2.
What are the key properties of 2-(2-cyclobutyl-3-naphthalen-2-ylpropyl)naphthalene?
2-(2-cyclobutyl-3-naphthalen-2-ylpropyl)naphthalene has a molecular weight of 350.51 g/mol, XLogP of 7.19, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutyl-3-naphthalen-2-ylpropyl)naphthalene is sourced from PubChem (CID 57017879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).