2-tert-butyl-1-methyl-4-(3,3,5,5-tetramethylcyclohexyl)naphthalene;6,8-ditert-butyl-2,5-dimethylquinoline

C44H63N — CID 158696122

IUPAC2-tert-butyl-1-methyl-4-(3,3,5,5-tetramethylcyclohexyl)naphthalene;6,8-ditert-butyl-2,5-dimethylquinoline
SMILESCc1c(C(C)(C)C)cc(C2CC(C)(C)CC(C)(C)C2)c2ccccc12.Cc1ccc2c(C)c(C(C)(C)C)cc(C(C)(C)C)c2n1
InChIInChI=1S/C25H36.C19H27N/c1-17-19-11-9-10-12-20(19)21(13-22(17)23(2,3)4)18-14-24(5,6)16-25(7,8)15-18;1-12-9-10-14-13(2)15(18(3,4)5)11-16(17(14)20-12)19(6,7)8/h9-13,18H,14-16H2,1-8H3;9-11H,1-8H3
InChIKeyIGYVMLWNJSOBAK-UHFFFAOYSA-N
MW606.00 g/mol
LogP13.21
Rot. Bonds1

About 2-tert-butyl-1-methyl-4-(3,3,5,5-tetramethylcyclohexyl)naphthalene;6,8-ditert-butyl-2,5-dimethylquinoline

2-tert-butyl-1-methyl-4-(3,3,5,5-tetramethylcyclohexyl)naphthalene;6,8-ditert-butyl-2,5-dimethylquinoline (PubChem CID 158696122) has the molecular formula C44H63N and a molecular weight of 606.00 g/mol. Its IUPAC name is 2-tert-butyl-1-methyl-4-(3,3,5,5-tetramethylcyclohexyl)naphthalene;6,8-ditert-butyl-2,5-dimethylquinoline.

Molecular Properties

Compound Name2-tert-butyl-1-methyl-4-(3,3,5,5-tetramethylcyclohexyl)naphthalene;6,8-ditert-butyl-2,5-dimethylquinoline
PubChem CID158696122
Molecular FormulaC44H63N
Molecular Weight606.00 g/mol
Exact Mass605.50
IUPAC Name2-tert-butyl-1-methyl-4-(3,3,5,5-tetramethylcyclohexyl)naphthalene;6,8-ditert-butyl-2,5-dimethylquinoline
SMILESCc1c(C(C)(C)C)cc(C2CC(C)(C)CC(C)(C)C2)c2ccccc12.Cc1ccc2c(C)c(C(C)(C)C)cc(C(C)(C)C)c2n1
InChIInChI=1S/C25H36.C19H27N/c1-17-19-11-9-10-12-20(19)21(13-22(17)23(2,3)4)18-14-24(5,6)16-25(7,8)15-18;1-12-9-10-14-13(2)15(18(3,4)5)11-16(17(14)20-12)19(6,7)8/h9-13,18H,14-16H2,1-8H3;9-11H,1-8H3
InChIKeyIGYVMLWNJSOBAK-UHFFFAOYSA-N
XLogP13.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.00
LogP ≤ 513.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-4-(2,2,4,4,6,6-hexamethylcyclohexyl)-1-methylnaphthalene
CID 166015651
4-[2,6-bis(trideuteriomethyl)phenyl]-2-tert-butyl-1-methylnaphthalene;6-tert-butyl-5-methyl-2-(trideuteriomethyl)-8-(1,1,1-trideuterio-2-methylpropan-2-yl)quinoline
CID 165073723
2-tert-butyl-4-(4,4-dimethylcyclohexyl)-1-methylanthracene
CID 155760218
6,8-ditert-butyl-2-methylquinoline
CID 167019178
4-(4,4-dimethylcyclohexyl)-2-iodo-1-methylnaphthalene
CID 170245098
5-(4-tert-butyl-1-methylnaphthalen-2-yl)-6-methyl-2,3,8-tris(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium
CID 170395575
5-tert-butyl-2-methylquinolin-8-ol
CID 59538406
4-(4-cyclopentyl-1-methylnaphthalen-2-yl)-7-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-3-methylthieno[3,2-d]pyrimidin-3-ium
CID 166054921
2-tert-butyl-4-methoxy-1-methylanthracene
CID 155456277
2-tert-butyl-4-cyclohexyl-1-methylnaphthalene;2-tert-butyl-1,4-dimethylnaphthalene;2-tert-butyl-4-methoxy-1-methylnaphthalene;1-tert-butyl-2-methylbenzene;2-tert-butyl-1-methyl-4-propan-2-ylnaphthalene;1-tert-butyl-2,3,5-trimethylbenzene;2,4-ditert-butyl-1-methylnaphthalene
CID 158423995
1-(4-tert-butylnaphthalen-2-yl)-7-(4,4-dimethylcyclohexyl)benzo[h]isoquinoline
CID 156667190
[6-(4-tert-butylnaphthalen-2-yl)-4-(4,4-dimethylcyclohexyl)-3-pyridinyl]-trimethylsilane
CID 177122780

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-methyl-4-(3,3,5,5-tetramethylcyclohexyl)naphthalene;6,8-ditert-butyl-2,5-dimethylquinoline?
The IUPAC name of 2-tert-butyl-1-methyl-4-(3,3,5,5-tetramethylcyclohexyl)naphthalene;6,8-ditert-butyl-2,5-dimethylquinoline (CID 158696122) is 2-tert-butyl-1-methyl-4-(3,3,5,5-tetramethylcyclohexyl)naphthalene;6,8-ditert-butyl-2,5-dimethylquinoline.
What is the SMILES notation for 2-tert-butyl-1-methyl-4-(3,3,5,5-tetramethylcyclohexyl)naphthalene;6,8-ditert-butyl-2,5-dimethylquinoline?
The canonical SMILES for 2-tert-butyl-1-methyl-4-(3,3,5,5-tetramethylcyclohexyl)naphthalene;6,8-ditert-butyl-2,5-dimethylquinoline is Cc1c(C(C)(C)C)cc(C2CC(C)(C)CC(C)(C)C2)c2ccccc12.Cc1ccc2c(C)c(C(C)(C)C)cc(C(C)(C)C)c2n1.
What is the InChIKey of 2-tert-butyl-1-methyl-4-(3,3,5,5-tetramethylcyclohexyl)naphthalene;6,8-ditert-butyl-2,5-dimethylquinoline?
The InChIKey is IGYVMLWNJSOBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36.C19H27N/c1-17-19-11-9-10-12-20(19)21(13-22(17)23(2,3)4)18-14-24(5,6)16-25(7,8)15-18;1-12-9-10-14-13(2)15(18(3,4)5)11-16(17(14)20-12)19(6,7)8/h9-13,18H,14-16H2,1-8H3;9-11H,1-8H3.
What are the key properties of 2-tert-butyl-1-methyl-4-(3,3,5,5-tetramethylcyclohexyl)naphthalene;6,8-ditert-butyl-2,5-dimethylquinoline?
2-tert-butyl-1-methyl-4-(3,3,5,5-tetramethylcyclohexyl)naphthalene;6,8-ditert-butyl-2,5-dimethylquinoline has a molecular weight of 606.00 g/mol, XLogP of 13.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-methyl-4-(3,3,5,5-tetramethylcyclohexyl)naphthalene;6,8-ditert-butyl-2,5-dimethylquinoline is sourced from PubChem (CID 158696122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).