2-(2,5-dihexyl-4-methylphenyl)-6-methylnaphthalene;methane

C34H56 — CID 157345850

IUPAC2-(2,5-dihexyl-4-methylphenyl)-6-methylnaphthalene;methane
SMILESC.C.C.C.CCCCCCc1cc(-c2ccc3cc(C)ccc3c2)c(CCCCCC)cc1C
InChIInChI=1S/C30H40.4CH4/c1-5-7-9-11-13-25-22-30(28(20-24(25)4)14-12-10-8-6-2)29-18-17-26-19-23(3)15-16-27(26)21-29;;;;/h15-22H,5-14H2,1-4H3;4*1H4
InChIKeyBGYOXKJCEBCMSE-UHFFFAOYSA-N
MW464.82 g/mol
LogP11.91
Rot. Bonds11

About 2-(2,5-dihexyl-4-methylphenyl)-6-methylnaphthalene;methane

2-(2,5-dihexyl-4-methylphenyl)-6-methylnaphthalene;methane (PubChem CID 157345850) has the molecular formula C34H56 and a molecular weight of 464.82 g/mol. Its IUPAC name is 2-(2,5-dihexyl-4-methylphenyl)-6-methylnaphthalene;methane.

Molecular Properties

Compound Name2-(2,5-dihexyl-4-methylphenyl)-6-methylnaphthalene;methane
PubChem CID157345850
Molecular FormulaC34H56
Molecular Weight464.82 g/mol
Exact Mass464.44
IUPAC Name2-(2,5-dihexyl-4-methylphenyl)-6-methylnaphthalene;methane
SMILESC.C.C.C.CCCCCCc1cc(-c2ccc3cc(C)ccc3c2)c(CCCCCC)cc1C
InChIInChI=1S/C30H40.4CH4/c1-5-7-9-11-13-25-22-30(28(20-24(25)4)14-12-10-8-6-2)29-18-17-26-19-23(3)15-16-27(26)21-29;;;;/h15-22H,5-14H2,1-4H3;4*1H4
InChIKeyBGYOXKJCEBCMSE-UHFFFAOYSA-N
XLogP11.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.82
LogP ≤ 511.91
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

2-[3-(6-methylanthracen-2-yl)-5-(4-methyl-2,5-dioctylphenyl)phenyl]triphenylene
CID 123604010
1,4-bis[4-(2,4-dimethylphenyl)phenyl]-2,5-dihexylbenzene;1-[4-(2,4-dimethylphenyl)phenyl]-2,5-dihexyl-4-[4-(4-methylphenyl)phenyl]benzene;1-[4-(2,4-dimethylphenyl)phenyl]-4-[4-(4-methylphenyl)phenyl]-2,5-dipentylbenzene;1-[4-(2-ethyl-4-methylphenyl)phenyl]-4-[4-(4-methylphenyl)phenyl]-2,5-dipentylbenzene
CID 159383327
2-methyl-6-(4-octylphenyl)naphthalene
CID 59917182
2-[4-[3-(3,5-diphenylphenyl)-5-(4-methyl-2,5-dioctylphenyl)phenyl]-2,5-dioctylphenyl]-6-methylanthracene;2-[3-[4-(6-methylanthracen-2-yl)-2,5-dioctylphenyl]-5-(4-methyl-2,5-dioctylphenyl)phenyl]-1,10-phenanthroline;2-[4-[4-(6-methylanthracen-2-yl)-2,5-dioctylphenyl]-6-(4-methyl-2,5-dioctylphenyl)pyrimidin-2-yl]-1,10-phenanthroline
CID 160970680
1-methyl-4-[4-(4-methylphenyl)phenyl]-2,5-dipropylbenzene
CID 59821643
4-[3-(4-methyl-2,5-dioctylphenyl)-5-[3-[2-(3-methylphenyl)phenyl]phenyl]phenyl]acenaphthylene
CID 123649427
4-[4-(6-methylanthracen-2-yl)-2,5-dioctylphenyl]-6-(4-methyl-2,5-dioctylphenyl)-2-(10-oxa-14-thiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)pyrimidine
CID 118345616
1-[4-[3-(3,5-diphenylphenyl)-5-(4-methyl-2,5-dioctylphenyl)phenyl]-2,5-dioctylphenyl]-5-(4-methylphenyl)naphthalene
CID 123328178
9,9-bis[4-(2-ethoxyethoxy)phenyl]-2-methyl-7-(4-methyl-2,5-dioctylphenyl)fluorene
CID 59821626
2-[4-[4-[4-(3,4-dimethylphenyl)-2,5-dihexylphenyl]-2-methylphenyl]phenyl]-4-(4-hexylphenyl)-6-(4-methylphenyl)-1,3,5-triazine
CID 90192426
1,4-dibutyl-2,5-bis[4-(2-ethyl-4-methylphenyl)phenyl]benzene
CID 155761642
3-fluoro-6-methyl-2-pentylnaphthalene
CID 58718820

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dihexyl-4-methylphenyl)-6-methylnaphthalene;methane?
The IUPAC name of 2-(2,5-dihexyl-4-methylphenyl)-6-methylnaphthalene;methane (CID 157345850) is 2-(2,5-dihexyl-4-methylphenyl)-6-methylnaphthalene;methane.
What is the SMILES notation for 2-(2,5-dihexyl-4-methylphenyl)-6-methylnaphthalene;methane?
The canonical SMILES for 2-(2,5-dihexyl-4-methylphenyl)-6-methylnaphthalene;methane is C.C.C.C.CCCCCCc1cc(-c2ccc3cc(C)ccc3c2)c(CCCCCC)cc1C.
What is the InChIKey of 2-(2,5-dihexyl-4-methylphenyl)-6-methylnaphthalene;methane?
The InChIKey is BGYOXKJCEBCMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40.4CH4/c1-5-7-9-11-13-25-22-30(28(20-24(25)4)14-12-10-8-6-2)29-18-17-26-19-23(3)15-16-27(26)21-29;;;;/h15-22H,5-14H2,1-4H3;4*1H4.
What are the key properties of 2-(2,5-dihexyl-4-methylphenyl)-6-methylnaphthalene;methane?
2-(2,5-dihexyl-4-methylphenyl)-6-methylnaphthalene;methane has a molecular weight of 464.82 g/mol, XLogP of 11.91, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihexyl-4-methylphenyl)-6-methylnaphthalene;methane is sourced from PubChem (CID 157345850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).