2-(2-bromophenyl)-6-(3-ethylundecan-3-yl)naphthalene

C29H37Br — CID 155109185

IUPAC2-(2-bromophenyl)-6-(3-ethylundecan-3-yl)naphthalene
SMILESCCCCCCCCC(CC)(CC)c1ccc2cc(-c3ccccc3Br)ccc2c1
InChIInChI=1S/C29H37Br/c1-4-7-8-9-10-13-20-29(5-2,6-3)26-19-18-23-21-25(17-16-24(23)22-26)27-14-11-12-15-28(27)30/h11-12,14-19,21-22H,4-10,13,20H2,1-3H3
InChIKeyQGBVYXVSXJSDOU-UHFFFAOYSA-N
MW465.52 g/mol
LogP10.08
Rot. Bonds11

About 2-(2-bromophenyl)-6-(3-ethylundecan-3-yl)naphthalene

2-(2-bromophenyl)-6-(3-ethylundecan-3-yl)naphthalene (PubChem CID 155109185) has the molecular formula C29H37Br and a molecular weight of 465.52 g/mol. Its IUPAC name is 2-(2-bromophenyl)-6-(3-ethylundecan-3-yl)naphthalene.

Molecular Properties

Compound Name2-(2-bromophenyl)-6-(3-ethylundecan-3-yl)naphthalene
PubChem CID155109185
Molecular FormulaC29H37Br
Molecular Weight465.52 g/mol
Exact Mass464.21
IUPAC Name2-(2-bromophenyl)-6-(3-ethylundecan-3-yl)naphthalene
SMILESCCCCCCCCC(CC)(CC)c1ccc2cc(-c3ccccc3Br)ccc2c1
InChIInChI=1S/C29H37Br/c1-4-7-8-9-10-13-20-29(5-2,6-3)26-19-18-23-21-25(17-16-24(23)22-26)27-14-11-12-15-28(27)30/h11-12,14-19,21-22H,4-10,13,20H2,1-3H3
InChIKeyQGBVYXVSXJSDOU-UHFFFAOYSA-N
XLogP10.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.52
LogP ≤ 510.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(3-ethyldodecan-3-yl)benzene
CID 150177069
8-(3-ethylundecan-3-yl)-11,11-dimethylnaphtho[1,2-b][1]benzosilole
CID 177473437
2-ethyl-2-phenylnonan-1-ol
CID 66057887
2-ethyl-2-phenyldecan-1-ol
CID 66058928
3-(chloromethyl)undecan-3-ylbenzene
CID 66033821
5-butylhexadecan-5-ylbenzene
CID 173084700
2-(2-butylphenyl)naphthalene
CID 58626566
2-[4-(2-bromophenyl)phenyl]-3-(4-naphthalen-2-ylphenyl)quinoxaline
CID 175102190
1-[1-bromo-2-(bromomethyl)undecan-2-yl]-4-methylbenzene
CID 79445897
2-(8-ethylpentadecan-8-yl)phenol
CID 87184015
2-(11-ethylhenicosan-11-yl)phenol
CID 87183827
1-bromo-4-[1-chloro-2-(chloromethyl)decan-2-yl]benzene
CID 79453166

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-6-(3-ethylundecan-3-yl)naphthalene?
The IUPAC name of 2-(2-bromophenyl)-6-(3-ethylundecan-3-yl)naphthalene (CID 155109185) is 2-(2-bromophenyl)-6-(3-ethylundecan-3-yl)naphthalene.
What is the SMILES notation for 2-(2-bromophenyl)-6-(3-ethylundecan-3-yl)naphthalene?
The canonical SMILES for 2-(2-bromophenyl)-6-(3-ethylundecan-3-yl)naphthalene is CCCCCCCCC(CC)(CC)c1ccc2cc(-c3ccccc3Br)ccc2c1.
What is the InChIKey of 2-(2-bromophenyl)-6-(3-ethylundecan-3-yl)naphthalene?
The InChIKey is QGBVYXVSXJSDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37Br/c1-4-7-8-9-10-13-20-29(5-2,6-3)26-19-18-23-21-25(17-16-24(23)22-26)27-14-11-12-15-28(27)30/h11-12,14-19,21-22H,4-10,13,20H2,1-3H3.
What are the key properties of 2-(2-bromophenyl)-6-(3-ethylundecan-3-yl)naphthalene?
2-(2-bromophenyl)-6-(3-ethylundecan-3-yl)naphthalene has a molecular weight of 465.52 g/mol, XLogP of 10.08, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-6-(3-ethylundecan-3-yl)naphthalene is sourced from PubChem (CID 155109185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).