1-tert-butyl-4-(1-deuteriocyclohexyl)benzene;1-tert-butyl-4-(2-deuterio-3,3-dimethylbutan-2-yl)benzene;1-tert-butyl-4-(2,2-dimethylpropyl)benzene;1,2-ditert-butyl-3-phenylbenzene;1,2,3,5-tetratert-butylbenzene;1,2,4-tritert-butylbenzene

C107H168 — CID 157180712

IUPAC1-tert-butyl-4-(1-deuteriocyclohexyl)benzene;1-tert-butyl-4-(2-deuterio-3,3-dimethylbutan-2-yl)benzene;1-tert-butyl-4-(2,2-dimethylpropyl)benzene;1,2-ditert-butyl-3-phenylbenzene;1,2,3,5-tetratert-butylbenzene;1,2,4-tritert-butylbenzene
SMILESCC(C)(C)Cc1ccc(C(C)(C)C)cc1.CC(C)(C)c1cc(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c1.CC(C)(C)c1ccc(C(C)(C)C)c(C(C)(C)C)c1.CC(C)(C)c1cccc(-c2ccccc2)c1C(C)(C)C.[2H]C(C)(c1ccc(C(C)(C)C)cc1)C(C)(C)C.[2H]C1(c2ccc(C(C)(C)C)cc2)CCCCC1
InChIInChI=1S/C22H38.C20H26.C18H30.C16H24.C16H26.C15H24/c1-19(2,3)15-13-16(20(4,5)6)18(22(10,11)12)17(14-15)21(7,8)9;1-19(2,3)17-14-10-13-16(18(17)20(4,5)6)15-11-8-7-9-12-15;1-16(2,3)13-10-11-14(17(4,5)6)15(12-13)18(7,8)9;1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-12(15(2,3)4)13-8-10-14(11-9-13)16(5,6)7;1-14(2,3)11-12-7-9-13(10-8-12)15(4,5)6/h13-14H,1-12H3;7-14H,1-6H3;10-12H,1-9H3;9-13H,4-8H2,1-3H3;8-12H,1-7H3;7-10H,11H2,1-6H3/i;;;13D;12D;
InChIKeyAONPVWAFWNIXQO-KAIKXYSMSA-N
MW1456.53 g/mol
LogP33.14
Rot. Bonds4

About 1-tert-butyl-4-(1-deuteriocyclohexyl)benzene;1-tert-butyl-4-(2-deuterio-3,3-dimethylbutan-2-yl)benzene;1-tert-butyl-4-(2,2-dimethylpropyl)benzene;1,2-ditert-butyl-3-phenylbenzene;1,2,3,5-tetratert-butylbenzene;1,2,4-tritert-butylbenzene

1-tert-butyl-4-(1-deuteriocyclohexyl)benzene;1-tert-butyl-4-(2-deuterio-3,3-dimethylbutan-2-yl)benzene;1-tert-butyl-4-(2,2-dimethylpropyl)benzene;1,2-ditert-butyl-3-phenylbenzene;1,2,3,5-tetratert-butylbenzene;1,2,4-tritert-butylbenzene (PubChem CID 157180712) has the molecular formula C107H168 and a molecular weight of 1456.53 g/mol. Its IUPAC name is 1-tert-butyl-4-(1-deuteriocyclohexyl)benzene;1-tert-butyl-4-(2-deuterio-3,3-dimethylbutan-2-yl)benzene;1-tert-butyl-4-(2,2-dimethylpropyl)benzene;1,2-ditert-butyl-3-phenylbenzene;1,2,3,5-tetratert-butylbenzene;1,2,4-tritert-butylbenzene.

Molecular Properties

Compound Name1-tert-butyl-4-(1-deuteriocyclohexyl)benzene;1-tert-butyl-4-(2-deuterio-3,3-dimethylbutan-2-yl)benzene;1-tert-butyl-4-(2,2-dimethylpropyl)benzene;1,2-ditert-butyl-3-phenylbenzene;1,2,3,5-tetratert-butylbenzene;1,2,4-tritert-butylbenzene
PubChem CID157180712
Molecular FormulaC107H168
Molecular Weight1456.53 g/mol
Exact Mass1455.33
IUPAC Name1-tert-butyl-4-(1-deuteriocyclohexyl)benzene;1-tert-butyl-4-(2-deuterio-3,3-dimethylbutan-2-yl)benzene;1-tert-butyl-4-(2,2-dimethylpropyl)benzene;1,2-ditert-butyl-3-phenylbenzene;1,2,3,5-tetratert-butylbenzene;1,2,4-tritert-butylbenzene
SMILESCC(C)(C)Cc1ccc(C(C)(C)C)cc1.CC(C)(C)c1cc(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c1.CC(C)(C)c1ccc(C(C)(C)C)c(C(C)(C)C)c1.CC(C)(C)c1cccc(-c2ccccc2)c1C(C)(C)C.[2H]C(C)(c1ccc(C(C)(C)C)cc1)C(C)(C)C.[2H]C1(c2ccc(C(C)(C)C)cc2)CCCCC1
InChIInChI=1S/C22H38.C20H26.C18H30.C16H24.C16H26.C15H24/c1-19(2,3)15-13-16(20(4,5)6)18(22(10,11)12)17(14-15)21(7,8)9;1-19(2,3)17-14-10-13-16(18(17)20(4,5)6)15-11-8-7-9-12-15;1-16(2,3)13-10-11-14(17(4,5)6)15(12-13)18(7,8)9;1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-12(15(2,3)4)13-8-10-14(11-9-13)16(5,6)7;1-14(2,3)11-12-7-9-13(10-8-12)15(4,5)6/h13-14H,1-12H3;7-14H,1-6H3;10-12H,1-9H3;9-13H,4-8H2,1-3H3;8-12H,1-7H3;7-10H,11H2,1-6H3/i;;;13D;12D;
InChIKeyAONPVWAFWNIXQO-KAIKXYSMSA-N
XLogP33.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms107
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001456.53
LogP ≤ 533.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-ditert-butyl-3-(4-phenylphenyl)benzene
CID 19802295
1-tert-butyl-4-cyclopentylbenzene;1-tert-butyl-4-(2-deuteriopropan-2-yl)benzene;1-tert-butyl-4-(1,1,1,2,3,3-hexadeuteriobutan-2-yl)benzene;1-tert-butyl-4-propan-2-ylbenzene;1,4-ditert-butylbenzene;1,2,4-tritert-butylbenzene
CID 165049593
pentakis(benzene-1,3-diol);1-tert-butyl-4-propan-2-ylbenzene;1-cyclohexyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;1-phenyl-4-propan-2-ylbenzene;propane
CID 158005852
1,4-ditert-butyl-2-(2-phenylphenyl)benzene
CID 174563257
1-tert-butyl-3,5-bis(4-tert-butylphenyl)benzene;2-tert-butyl-1,3-bis(4-tert-butylphenyl)benzene;bis(1-tert-butyl-3,5-dimethylbenzene);2-tert-butyl-1,3-diphenylbenzene;1-[2-tert-butyl-3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2,3,4,6-tetradeuterio-5-methylbenzene;1-(2-tert-butylphenyl)-2,3,4,5,6-pentadeuteriobenzene
CID 164960133
1-tert-butyladamantane;tert-butylcyclohexane;tert-butylcyclopentane;2-tert-butyl-1,3-dicyclohexylbenzene;1,2-ditert-butylbenzene;1,2,3-tritert-butylbenzene;2,2,4-trimethylpentane
CID 159134726
2,7-ditert-butyl-9-[2-tert-butyl-3-(3,5-ditert-butylphenyl)phenyl]carbazole;2,7-ditert-butyl-9-(2-tert-butylphenyl)carbazole;2,7-ditert-butyl-9-(2-tert-butyl-3-phenylphenyl)carbazole;2,7-ditert-butyl-9-[2-tert-butyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]carbazole;2,7-ditert-butyl-9-(2,3-ditert-butylphenyl)carbazole
CID 167559301
4-tert-butyl-5-[3-tert-butyl-5-[1-[4-[4-tert-butyl-5-(3,5-ditert-butylphenyl)carbazol-9-yl]phenyl]-2-methylpropan-2-yl]phenyl]-3,9-diphenylcarbazole
CID 167289522
4-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[4-(2,2-dimethylpropyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-propan-2-ylphenyl)pyridin-1-ium
CID 162265556
9-(2-tert-butylphenyl)-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole;9-(2-tert-butylphenyl)-1-phenylcarbazole;9-(2-tert-butyl-3-phenylphenyl)-1-phenylcarbazole;2,7-ditert-butyl-9-(2,3-ditert-butylphenyl)carbazole
CID 163457521
2-tert-butyl-1-(2-deuterio-4,4,4-trifluoro-3,3-dimethylbutan-2-yl)-3-(1,1-dideuterio-3,3,3-trifluoro-2,2-dimethylpropyl)benzene;2-tert-butyl-1,3-dicyclohexylbenzene;1-tert-butyl-2-(1,1-dideuterio-2,2-dimethylpropyl)benzene;1-tert-butyl-2-(1,1-dideuterio-3,3,3-trifluoro-2,2-dimethylpropyl)benzene;1-[2-tert-butyl-3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2,3,4,6-tetradeuterio-5-methylbenzene;1-tert-butyl-2-phenylbenzene;1-(2-tert-butylphenyl)-2,3,4,5,6-pentadeuteriobenzene
CID 157069303
9-[2-tert-butyl-3-(3,5-ditert-butylphenyl)phenyl]-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole;9-[2-tert-butyl-3-(3,5-ditert-butylphenyl)phenyl]-1-phenylcarbazole;9-[2-tert-butyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole;9-(2,3-ditert-butylphenyl)-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole;9-(2,3-ditert-butylphenyl)-1-phenylcarbazole
CID 163689607

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(1-deuteriocyclohexyl)benzene;1-tert-butyl-4-(2-deuterio-3,3-dimethylbutan-2-yl)benzene;1-tert-butyl-4-(2,2-dimethylpropyl)benzene;1,2-ditert-butyl-3-phenylbenzene;1,2,3,5-tetratert-butylbenzene;1,2,4-tritert-butylbenzene?
The IUPAC name of 1-tert-butyl-4-(1-deuteriocyclohexyl)benzene;1-tert-butyl-4-(2-deuterio-3,3-dimethylbutan-2-yl)benzene;1-tert-butyl-4-(2,2-dimethylpropyl)benzene;1,2-ditert-butyl-3-phenylbenzene;1,2,3,5-tetratert-butylbenzene;1,2,4-tritert-butylbenzene (CID 157180712) is 1-tert-butyl-4-(1-deuteriocyclohexyl)benzene;1-tert-butyl-4-(2-deuterio-3,3-dimethylbutan-2-yl)benzene;1-tert-butyl-4-(2,2-dimethylpropyl)benzene;1,2-ditert-butyl-3-phenylbenzene;1,2,3,5-tetratert-butylbenzene;1,2,4-tritert-butylbenzene.
What is the SMILES notation for 1-tert-butyl-4-(1-deuteriocyclohexyl)benzene;1-tert-butyl-4-(2-deuterio-3,3-dimethylbutan-2-yl)benzene;1-tert-butyl-4-(2,2-dimethylpropyl)benzene;1,2-ditert-butyl-3-phenylbenzene;1,2,3,5-tetratert-butylbenzene;1,2,4-tritert-butylbenzene?
The canonical SMILES for 1-tert-butyl-4-(1-deuteriocyclohexyl)benzene;1-tert-butyl-4-(2-deuterio-3,3-dimethylbutan-2-yl)benzene;1-tert-butyl-4-(2,2-dimethylpropyl)benzene;1,2-ditert-butyl-3-phenylbenzene;1,2,3,5-tetratert-butylbenzene;1,2,4-tritert-butylbenzene is CC(C)(C)Cc1ccc(C(C)(C)C)cc1.CC(C)(C)c1cc(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c1.CC(C)(C)c1ccc(C(C)(C)C)c(C(C)(C)C)c1.CC(C)(C)c1cccc(-c2ccccc2)c1C(C)(C)C.[2H]C(C)(c1ccc(C(C)(C)C)cc1)C(C)(C)C.[2H]C1(c2ccc(C(C)(C)C)cc2)CCCCC1.
What is the InChIKey of 1-tert-butyl-4-(1-deuteriocyclohexyl)benzene;1-tert-butyl-4-(2-deuterio-3,3-dimethylbutan-2-yl)benzene;1-tert-butyl-4-(2,2-dimethylpropyl)benzene;1,2-ditert-butyl-3-phenylbenzene;1,2,3,5-tetratert-butylbenzene;1,2,4-tritert-butylbenzene?
The InChIKey is AONPVWAFWNIXQO-KAIKXYSMSA-N. The full InChI is InChI=1S/C22H38.C20H26.C18H30.C16H24.C16H26.C15H24/c1-19(2,3)15-13-16(20(4,5)6)18(22(10,11)12)17(14-15)21(7,8)9;1-19(2,3)17-14-10-13-16(18(17)20(4,5)6)15-11-8-7-9-12-15;1-16(2,3)13-10-11-14(17(4,5)6)15(12-13)18(7,8)9;1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-12(15(2,3)4)13-8-10-14(11-9-13)16(5,6)7;1-14(2,3)11-12-7-9-13(10-8-12)15(4,5)6/h13-14H,1-12H3;7-14H,1-6H3;10-12H,1-9H3;9-13H,4-8H2,1-3H3;8-12H,1-7H3;7-10H,11H2,1-6H3/i;;;13D;12D;.
What are the key properties of 1-tert-butyl-4-(1-deuteriocyclohexyl)benzene;1-tert-butyl-4-(2-deuterio-3,3-dimethylbutan-2-yl)benzene;1-tert-butyl-4-(2,2-dimethylpropyl)benzene;1,2-ditert-butyl-3-phenylbenzene;1,2,3,5-tetratert-butylbenzene;1,2,4-tritert-butylbenzene?
1-tert-butyl-4-(1-deuteriocyclohexyl)benzene;1-tert-butyl-4-(2-deuterio-3,3-dimethylbutan-2-yl)benzene;1-tert-butyl-4-(2,2-dimethylpropyl)benzene;1,2-ditert-butyl-3-phenylbenzene;1,2,3,5-tetratert-butylbenzene;1,2,4-tritert-butylbenzene has a molecular weight of 1456.53 g/mol, XLogP of 33.14, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(1-deuteriocyclohexyl)benzene;1-tert-butyl-4-(2-deuterio-3,3-dimethylbutan-2-yl)benzene;1-tert-butyl-4-(2,2-dimethylpropyl)benzene;1,2-ditert-butyl-3-phenylbenzene;1,2,3,5-tetratert-butylbenzene;1,2,4-tritert-butylbenzene is sourced from PubChem (CID 157180712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).