tert-butylbenzene;4-tert-butyl-1,5-dimethyltriazole;cyclohexane;cyclopenta-1,3-diene;2,3-dihydro-1-benzothiophene 1,1-dioxide;2,2-dimethylpropane;ethane;1-methylindole;pentakis(2-methylpropane);1-methylpyrrolidine;pyridine

C95H184N6O2S — CID 158626145

About tert-butylbenzene;4-tert-butyl-1,5-dimethyltriazole;cyclohexane;cyclopenta-1,3-diene;2,3-dihydro-1-benzothiophene 1,1-dioxide;2,2-dimethylpropane;ethane;1-methylindole;pentakis(2-methylpropane);1-methylpyrrolidine;pyridine

tert-butylbenzene;4-tert-butyl-1,5-dimethyltriazole;cyclohexane;cyclopenta-1,3-diene;2,3-dihydro-1-benzothiophene 1,1-dioxide;2,2-dimethylpropane;ethane;1-methylindole;pentakis(2-methylpropane);1-methylpyrrolidine;pyridine (PubChem CID 158626145) has the molecular formula C95H184N6O2S and a molecular weight of 1474.62 g/mol. Its IUPAC name is tert-butylbenzene;4-tert-butyl-1,5-dimethyltriazole;cyclohexane;cyclopenta-1,3-diene;2,3-dihydro-1-benzothiophene 1,1-dioxide;2,2-dimethylpropane;ethane;1-methylindole;pentakis(2-methylpropane);1-methylpyrrolidine;pyridine.

Molecular Properties

• Compound Name: tert-butylbenzene;4-tert-butyl-1,5-dimethyltriazole;cyclohexane;cyclopenta-1,3-diene;2,3-dihydro-1-benzothiophene 1,1-dioxide;2,2-dimethylpropane;ethane;1-methylindole;pentakis(2-methylpropane);1-methylpyrrolidine;pyridine
• PubChem CID: 158626145
• Molecular Formula: C95H184N6O2S
• Molecular Weight: 1474.62 g/mol
• Exact Mass: 1473.42
• IUPAC Name: tert-butylbenzene;4-tert-butyl-1,5-dimethyltriazole;cyclohexane;cyclopenta-1,3-diene;2,3-dihydro-1-benzothiophene 1,1-dioxide;2,2-dimethylpropane;ethane;1-methylindole;pentakis(2-methylpropane);1-methylpyrrolidine;pyridine
• SMILES: C1=CCC=C1.C1CCCCC1.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)c1ccccc1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CN1CCCC1.Cc1c(C(C)(C)C)nnn1C.Cn1ccc2ccccc21.O=S1(=O)CCc2ccccc21.c1ccncc1
• InChI: InChI=1S/C10H14.C9H9N.C8H15N3.C8H8O2S.C6H12.C5H11N.C5H5N.C5H6.C5H12.5C4H10.7C2H6/c1-10(2,3)9-7-5-4-6-8-9;1-10-7-6-8-4-2-3-5-9(8)10;1-6-7(8(2,3)4)9-10-11(6)5;9-11(10)6-5-7-3-1-2-4-8(7)11;1-2-4-6-5-3-1;1-6-4-2-3-5-6;1-2-4-6-5-3-1;1-2-4-5-3-1;1-5(2,3)4;5*1-4(2)3;7*1-2/h4-8H,1-3H3;2-7H,1H3;1-5H3;1-4H,5-6H2;1-6H2;2-5H2,1H3;1-5H;1-4H,5H2;1-4H3;5*4H,1-3H3;7*1-2H3
• InChIKey: HYPOXAMWBUICBS-UHFFFAOYSA-N
• XLogP: 30.78
• TPSA: 85.91 Ų
• H-Bond Acceptors: 8
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1474.62
LogP ≤ 5	30.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;4-tert-butyl-1,5-dimethyltriazole;cyclohexane;cyclopenta-1,3-diene;2,3-dihydro-1-benzothiophene 1,1-dioxide;2,2-dimethylpropane;ethane;1-methylindole;pentakis(2-methylpropane);1-methylpyrrolidine;pyridine?

The IUPAC name of tert-butylbenzene;4-tert-butyl-1,5-dimethyltriazole;cyclohexane;cyclopenta-1,3-diene;2,3-dihydro-1-benzothiophene 1,1-dioxide;2,2-dimethylpropane;ethane;1-methylindole;pentakis(2-methylpropane);1-methylpyrrolidine;pyridine (CID 158626145) is tert-butylbenzene;4-tert-butyl-1,5-dimethyltriazole;cyclohexane;cyclopenta-1,3-diene;2,3-dihydro-1-benzothiophene 1,1-dioxide;2,2-dimethylpropane;ethane;1-methylindole;pentakis(2-methylpropane);1-methylpyrrolidine;pyridine.

What is the SMILES notation for tert-butylbenzene;4-tert-butyl-1,5-dimethyltriazole;cyclohexane;cyclopenta-1,3-diene;2,3-dihydro-1-benzothiophene 1,1-dioxide;2,2-dimethylpropane;ethane;1-methylindole;pentakis(2-methylpropane);1-methylpyrrolidine;pyridine?

The canonical SMILES for tert-butylbenzene;4-tert-butyl-1,5-dimethyltriazole;cyclohexane;cyclopenta-1,3-diene;2,3-dihydro-1-benzothiophene 1,1-dioxide;2,2-dimethylpropane;ethane;1-methylindole;pentakis(2-methylpropane);1-methylpyrrolidine;pyridine is C1=CCC=C1.C1CCCCC1.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)c1ccccc1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CN1CCCC1.Cc1c(C(C)(C)C)nnn1C.Cn1ccc2ccccc21.O=S1(=O)CCc2ccccc21.c1ccncc1.

What is the InChIKey of tert-butylbenzene;4-tert-butyl-1,5-dimethyltriazole;cyclohexane;cyclopenta-1,3-diene;2,3-dihydro-1-benzothiophene 1,1-dioxide;2,2-dimethylpropane;ethane;1-methylindole;pentakis(2-methylpropane);1-methylpyrrolidine;pyridine?

The InChIKey is HYPOXAMWBUICBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C9H9N.C8H15N3.C8H8O2S.C6H12.C5H11N.C5H5N.C5H6.C5H12.5C4H10.7C2H6/c1-10(2,3)9-7-5-4-6-8-9;1-10-7-6-8-4-2-3-5-9(8)10;1-6-7(8(2,3)4)9-10-11(6)5;9-11(10)6-5-7-3-1-2-4-8(7)11;1-2-4-6-5-3-1;1-6-4-2-3-5-6;1-2-4-6-5-3-1;1-2-4-5-3-1;1-5(2,3)4;5*1-4(2)3;7*1-2/h4-8H,1-3H3;2-7H,1H3;1-5H3;1-4H,5-6H2;1-6H2;2-5H2,1H3;1-5H;1-4H,5H2;1-4H3;5*4H,1-3H3;7*1-2H3.

What are the key properties of tert-butylbenzene;4-tert-butyl-1,5-dimethyltriazole;cyclohexane;cyclopenta-1,3-diene;2,3-dihydro-1-benzothiophene 1,1-dioxide;2,2-dimethylpropane;ethane;1-methylindole;pentakis(2-methylpropane);1-methylpyrrolidine;pyridine?

tert-butylbenzene;4-tert-butyl-1,5-dimethyltriazole;cyclohexane;cyclopenta-1,3-diene;2,3-dihydro-1-benzothiophene 1,1-dioxide;2,2-dimethylpropane;ethane;1-methylindole;pentakis(2-methylpropane);1-methylpyrrolidine;pyridine has a molecular weight of 1474.62 g/mol, XLogP of 30.78, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butylbenzene;4-tert-butyl-1,5-dimethyltriazole;cyclohexane;cyclopenta-1,3-diene;2,3-dihydro-1-benzothiophene 1,1-dioxide;2,2-dimethylpropane;ethane;1-methylindole;pentakis(2-methylpropane);1-methylpyrrolidine;pyridine is sourced from PubChem (CID 158626145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).