3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-2-(4H-imidazol-2-yl)pyridine;bis(6-tert-butyl-3H-indole);5-tert-butyl-1H-isoindole;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;2-(4-tert-butylphenyl)-4H-imidazole;ethane

C106H158N10 — CID 160569123

IUPAC3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-2-(4H-imidazol-2-yl)pyridine;bis(6-tert-butyl-3H-indole);5-tert-butyl-1H-isoindole;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;2-(4-tert-butylphenyl)-4H-imidazole;ethane
SMILESCC.CC.CC.CC.CC.CC.CC(C)(C)c1ccc(C2=NCC=N2)cc1.CC(C)(C)c1ccc(C2=NCC=N2)nc1.CC(C)(C)c1ccc2c(c1)C=NC2.CC(C)(C)c1ccc2c(c1)N=CC2.CC(C)(C)c1ccc2c(c1)N=CC2.CC(C)(C)c1cnc2c(c1)C=CC2.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cn1
InChIInChI=1S/C13H16N2.C12H15N3.4C12H15N.C11H16.C10H15N.6C2H6/c1-13(2,3)11-6-4-10(5-7-11)12-14-8-9-15-12;1-12(2,3)9-4-5-10(15-8-9)11-13-6-7-14-11;1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;2*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;1-9-5-7-10(8-6-9)11(2,3)4;1-8-5-6-9(7-11-8)10(2,3)4;6*1-2/h4-8H,9H2,1-3H3;4-6,8H,7H2,1-3H3;4-6,8H,7H2,1-3H3;3*4-5,7-8H,6H2,1-3H3;5-8H,1-4H3;5-7H,1-4H3;6*1-2H3
InChIKeyRAIAEWZQIMJKSX-UHFFFAOYSA-N
MW1572.50 g/mol
LogP29.51
Rot. Bonds2

About 3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-2-(4H-imidazol-2-yl)pyridine;bis(6-tert-butyl-3H-indole);5-tert-butyl-1H-isoindole;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;2-(4-tert-butylphenyl)-4H-imidazole;ethane

3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-2-(4H-imidazol-2-yl)pyridine;bis(6-tert-butyl-3H-indole);5-tert-butyl-1H-isoindole;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;2-(4-tert-butylphenyl)-4H-imidazole;ethane (PubChem CID 160569123) has the molecular formula C106H158N10 and a molecular weight of 1572.50 g/mol. Its IUPAC name is 3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-2-(4H-imidazol-2-yl)pyridine;bis(6-tert-butyl-3H-indole);5-tert-butyl-1H-isoindole;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;2-(4-tert-butylphenyl)-4H-imidazole;ethane.

Molecular Properties

Compound Name3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-2-(4H-imidazol-2-yl)pyridine;bis(6-tert-butyl-3H-indole);5-tert-butyl-1H-isoindole;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;2-(4-tert-butylphenyl)-4H-imidazole;ethane
PubChem CID160569123
Molecular FormulaC106H158N10
Molecular Weight1572.50 g/mol
Exact Mass1571.27
IUPAC Name3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-2-(4H-imidazol-2-yl)pyridine;bis(6-tert-butyl-3H-indole);5-tert-butyl-1H-isoindole;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;2-(4-tert-butylphenyl)-4H-imidazole;ethane
SMILESCC.CC.CC.CC.CC.CC.CC(C)(C)c1ccc(C2=NCC=N2)cc1.CC(C)(C)c1ccc(C2=NCC=N2)nc1.CC(C)(C)c1ccc2c(c1)C=NC2.CC(C)(C)c1ccc2c(c1)N=CC2.CC(C)(C)c1ccc2c(c1)N=CC2.CC(C)(C)c1cnc2c(c1)C=CC2.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cn1
InChIInChI=1S/C13H16N2.C12H15N3.4C12H15N.C11H16.C10H15N.6C2H6/c1-13(2,3)11-6-4-10(5-7-11)12-14-8-9-15-12;1-12(2,3)9-4-5-10(15-8-9)11-13-6-7-14-11;1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;2*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;1-9-5-7-10(8-6-9)11(2,3)4;1-8-5-6-9(7-11-8)10(2,3)4;6*1-2/h4-8H,9H2,1-3H3;4-6,8H,7H2,1-3H3;4-6,8H,7H2,1-3H3;3*4-5,7-8H,6H2,1-3H3;5-8H,1-4H3;5-7H,1-4H3;6*1-2H3
InChIKeyRAIAEWZQIMJKSX-UHFFFAOYSA-N
XLogP29.51
TPSA125.19 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001572.50
LogP ≤ 529.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-2-(4H-imidazol-2-yl)pyridine;bis(6-tert-butyl-3H-indole);5-tert-butyl-1H-isoindole;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;2-(4-tert-butylphenyl)-4H-imidazole;ethane with MolForge

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Related Compounds

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
5-tert-butyl-2-methylpyridine;ethane
CID 162055015
6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1H-indazole;6-tert-butyl-3H-indole;5-tert-butyl-1H-isoindole
CID 160793170
5-tert-butyl-2-methylpyridine;methane
CID 157425273
3-(2-methyl-4-pyridinyl)-7H-cyclopenta[b]pyridine
CID 158490130
2-(1H-inden-5-yl)-5-(trifluoromethyl)pyridine
CID 165456460
5-tert-butyl-2-[4-(trideuteriomethyl)phenyl]pyridine
CID 157182456
5-tert-butyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine
CID 118300467
2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]propan-2-ol
CID 116881349
7-(4-tert-butylphenyl)-1H-indene
CID 91144251
7H-cyclopenta[b]pyridine;ethane
CID 91481517
tetrakis(1-tert-butyl-4-methylbenzene);ethane
CID 163240916

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-2-(4H-imidazol-2-yl)pyridine;bis(6-tert-butyl-3H-indole);5-tert-butyl-1H-isoindole;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;2-(4-tert-butylphenyl)-4H-imidazole;ethane?
The IUPAC name of 3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-2-(4H-imidazol-2-yl)pyridine;bis(6-tert-butyl-3H-indole);5-tert-butyl-1H-isoindole;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;2-(4-tert-butylphenyl)-4H-imidazole;ethane (CID 160569123) is 3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-2-(4H-imidazol-2-yl)pyridine;bis(6-tert-butyl-3H-indole);5-tert-butyl-1H-isoindole;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;2-(4-tert-butylphenyl)-4H-imidazole;ethane.
What is the SMILES notation for 3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-2-(4H-imidazol-2-yl)pyridine;bis(6-tert-butyl-3H-indole);5-tert-butyl-1H-isoindole;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;2-(4-tert-butylphenyl)-4H-imidazole;ethane?
The canonical SMILES for 3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-2-(4H-imidazol-2-yl)pyridine;bis(6-tert-butyl-3H-indole);5-tert-butyl-1H-isoindole;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;2-(4-tert-butylphenyl)-4H-imidazole;ethane is CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccc(C2=NCC=N2)cc1.CC(C)(C)c1ccc(C2=NCC=N2)nc1.CC(C)(C)c1ccc2c(c1)C=NC2.CC(C)(C)c1ccc2c(c1)N=CC2.CC(C)(C)c1ccc2c(c1)N=CC2.CC(C)(C)c1cnc2c(c1)C=CC2.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-2-(4H-imidazol-2-yl)pyridine;bis(6-tert-butyl-3H-indole);5-tert-butyl-1H-isoindole;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;2-(4-tert-butylphenyl)-4H-imidazole;ethane?
The InChIKey is RAIAEWZQIMJKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2.C12H15N3.4C12H15N.C11H16.C10H15N.6C2H6/c1-13(2,3)11-6-4-10(5-7-11)12-14-8-9-15-12;1-12(2,3)9-4-5-10(15-8-9)11-13-6-7-14-11;1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;2*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;1-9-5-7-10(8-6-9)11(2,3)4;1-8-5-6-9(7-11-8)10(2,3)4;6*1-2/h4-8H,9H2,1-3H3;4-6,8H,7H2,1-3H3;4-6,8H,7H2,1-3H3;3*4-5,7-8H,6H2,1-3H3;5-8H,1-4H3;5-7H,1-4H3;6*1-2H3.
What are the key properties of 3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-2-(4H-imidazol-2-yl)pyridine;bis(6-tert-butyl-3H-indole);5-tert-butyl-1H-isoindole;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;2-(4-tert-butylphenyl)-4H-imidazole;ethane?
3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-2-(4H-imidazol-2-yl)pyridine;bis(6-tert-butyl-3H-indole);5-tert-butyl-1H-isoindole;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;2-(4-tert-butylphenyl)-4H-imidazole;ethane has a molecular weight of 1572.50 g/mol, XLogP of 29.51, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-2-(4H-imidazol-2-yl)pyridine;bis(6-tert-butyl-3H-indole);5-tert-butyl-1H-isoindole;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;2-(4-tert-butylphenyl)-4H-imidazole;ethane is sourced from PubChem (CID 160569123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).