3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-1H-indene;6-tert-butyl-3H-indole;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;bis(2-(4-tert-butylphenyl)-4H-imidazole);3-tert-butyl-7H-pyrrolo[3,4-b]pyridine;ethane;methane

C108H163N9 — CID 158874333

About 3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-1H-indene;6-tert-butyl-3H-indole;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;bis(2-(4-tert-butylphenyl)-4H-imidazole);3-tert-butyl-7H-pyrrolo[3,4-b]pyridine;ethane;methane

3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-1H-indene;6-tert-butyl-3H-indole;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;bis(2-(4-tert-butylphenyl)-4H-imidazole);3-tert-butyl-7H-pyrrolo[3,4-b]pyridine;ethane;methane (PubChem CID 158874333) has the molecular formula C108H163N9 and a molecular weight of 1587.55 g/mol. Its IUPAC name is 3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-1H-indene;6-tert-butyl-3H-indole;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;bis(2-(4-tert-butylphenyl)-4H-imidazole);3-tert-butyl-7H-pyrrolo[3,4-b]pyridine;ethane;methane.

Molecular Properties

• Compound Name: 3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-1H-indene;6-tert-butyl-3H-indole;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;bis(2-(4-tert-butylphenyl)-4H-imidazole);3-tert-butyl-7H-pyrrolo[3,4-b]pyridine;ethane;methane
• PubChem CID: 158874333
• Molecular Formula: C108H163N9
• Molecular Weight: 1587.55 g/mol
• Exact Mass: 1586.30
• IUPAC Name: 3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-1H-indene;6-tert-butyl-3H-indole;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;bis(2-(4-tert-butylphenyl)-4H-imidazole);3-tert-butyl-7H-pyrrolo[3,4-b]pyridine;ethane;methane
• SMILES: C.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccc(C2=NCC=N2)cc1.CC(C)(C)c1ccc(C2=NCC=N2)cc1.CC(C)(C)c1ccc2c(c1)C=CC2.CC(C)(C)c1ccc2c(c1)N=CC2.CC(C)(C)c1cnc2c(c1)C=CC2.CC(C)(C)c1cnc2c(c1)C=NC2.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cn1
• InChI: InChI=1S/2C13H16N2.C13H16.2C12H15N.C11H14N2.C11H16.C10H15N.6C2H6.CH4/c2*1-13(2,3)11-6-4-10(5-7-11)12-14-8-9-15-12;1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)10-7-9-5-4-6-11(9)13-8-10;1-11(2,3)9-4-8-5-12-7-10(8)13-6-9;1-9-5-7-10(8-6-9)11(2,3)4;1-8-5-6-9(7-11-8)10(2,3)4;6*1-2;/h2*4-8H,9H2,1-3H3;4,6-9H,5H2,1-3H3;2*4-5,7-8H,6H2,1-3H3;4-6H,7H2,1-3H3;5-8H,1-4H3;5-7H,1-4H3;6*1-2H3;1H4
• InChIKey: JCGARUDOPFBHRJ-UHFFFAOYSA-N
• XLogP: 30.46
• TPSA: 112.83 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 2
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1587.55
LogP ≤ 5	30.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-1H-indene;6-tert-butyl-3H-indole;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;bis(2-(4-tert-butylphenyl)-4H-imidazole);3-tert-butyl-7H-pyrrolo[3,4-b]pyridine;ethane;methane?

The IUPAC name of 3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-1H-indene;6-tert-butyl-3H-indole;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;bis(2-(4-tert-butylphenyl)-4H-imidazole);3-tert-butyl-7H-pyrrolo[3,4-b]pyridine;ethane;methane (CID 158874333) is 3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-1H-indene;6-tert-butyl-3H-indole;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;bis(2-(4-tert-butylphenyl)-4H-imidazole);3-tert-butyl-7H-pyrrolo[3,4-b]pyridine;ethane;methane.

What is the SMILES notation for 3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-1H-indene;6-tert-butyl-3H-indole;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;bis(2-(4-tert-butylphenyl)-4H-imidazole);3-tert-butyl-7H-pyrrolo[3,4-b]pyridine;ethane;methane?

The canonical SMILES for 3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-1H-indene;6-tert-butyl-3H-indole;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;bis(2-(4-tert-butylphenyl)-4H-imidazole);3-tert-butyl-7H-pyrrolo[3,4-b]pyridine;ethane;methane is C.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccc(C2=NCC=N2)cc1.CC(C)(C)c1ccc(C2=NCC=N2)cc1.CC(C)(C)c1ccc2c(c1)C=CC2.CC(C)(C)c1ccc2c(c1)N=CC2.CC(C)(C)c1cnc2c(c1)C=CC2.CC(C)(C)c1cnc2c(c1)C=NC2.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cn1.

What is the InChIKey of 3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-1H-indene;6-tert-butyl-3H-indole;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;bis(2-(4-tert-butylphenyl)-4H-imidazole);3-tert-butyl-7H-pyrrolo[3,4-b]pyridine;ethane;methane?

The InChIKey is JCGARUDOPFBHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H16N2.C13H16.2C12H15N.C11H14N2.C11H16.C10H15N.6C2H6.CH4/c2*1-13(2,3)11-6-4-10(5-7-11)12-14-8-9-15-12;1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)10-7-9-5-4-6-11(9)13-8-10;1-11(2,3)9-4-8-5-12-7-10(8)13-6-9;1-9-5-7-10(8-6-9)11(2,3)4;1-8-5-6-9(7-11-8)10(2,3)4;6*1-2;/h2*4-8H,9H2,1-3H3;4,6-9H,5H2,1-3H3;2*4-5,7-8H,6H2,1-3H3;4-6H,7H2,1-3H3;5-8H,1-4H3;5-7H,1-4H3;6*1-2H3;1H4.

What are the key properties of 3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-1H-indene;6-tert-butyl-3H-indole;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;bis(2-(4-tert-butylphenyl)-4H-imidazole);3-tert-butyl-7H-pyrrolo[3,4-b]pyridine;ethane;methane?

3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-1H-indene;6-tert-butyl-3H-indole;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;bis(2-(4-tert-butylphenyl)-4H-imidazole);3-tert-butyl-7H-pyrrolo[3,4-b]pyridine;ethane;methane has a molecular weight of 1587.55 g/mol, XLogP of 30.46, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-1H-indene;6-tert-butyl-3H-indole;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;bis(2-(4-tert-butylphenyl)-4H-imidazole);3-tert-butyl-7H-pyrrolo[3,4-b]pyridine;ethane;methane is sourced from PubChem (CID 158874333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).