3-tert-butyl-1H-indene;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;1-tert-butylindole;2-tert-butyl-1H-indole;7-tert-butyl-1H-indole;ethane;methane

C119H205N3 — CID 167617258

IUPAC3-tert-butyl-1H-indene;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;1-tert-butylindole;2-tert-butyl-1H-indole;7-tert-butyl-1H-indole;ethane;methane
SMILESC.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C1=CCc2ccccc21.CC(C)(C)c1cc2ccccc2[nH]1.CC(C)(C)c1ccc2c(c1)C=CC2.CC(C)(C)c1ccc2c(c1)CC=C2.CC(C)(C)c1cccc2c1C=CC2.CC(C)(C)c1cccc2cc[nH]c12.CC(C)(C)n1ccc2ccccc21
InChIInChI=1S/4C13H16.3C12H15N.14C2H6.3CH4/c1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;2*1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-13(2,3)12-9-8-10-6-4-5-7-11(10)12;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-12(2,3)13-9-8-10-6-4-5-7-11(10)13;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;14*1-2;;;/h4-5,7-9H,6H2,1-3H3;4,6-9H,5H2,1-3H3;4-5,7-9H,6H2,1-3H3;4-7,9H,8H2,1-3H3;4-8,13H,1-3H3;4-9H,1-3H3;4-8,13H,1-3H3;14*1-2H3;3*1H4
InChIKeyLXOKDPQIZBAYPI-UHFFFAOYSA-N
MW1677.97 g/mol
LogP40.93
Rot. Bonds

About 3-tert-butyl-1H-indene;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;1-tert-butylindole;2-tert-butyl-1H-indole;7-tert-butyl-1H-indole;ethane;methane

3-tert-butyl-1H-indene;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;1-tert-butylindole;2-tert-butyl-1H-indole;7-tert-butyl-1H-indole;ethane;methane (PubChem CID 167617258) has the molecular formula C119H205N3 and a molecular weight of 1677.97 g/mol. Its IUPAC name is 3-tert-butyl-1H-indene;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;1-tert-butylindole;2-tert-butyl-1H-indole;7-tert-butyl-1H-indole;ethane;methane.

Molecular Properties

Compound Name3-tert-butyl-1H-indene;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;1-tert-butylindole;2-tert-butyl-1H-indole;7-tert-butyl-1H-indole;ethane;methane
PubChem CID167617258
Molecular FormulaC119H205N3
Molecular Weight1677.97 g/mol
Exact Mass1676.61
IUPAC Name3-tert-butyl-1H-indene;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;1-tert-butylindole;2-tert-butyl-1H-indole;7-tert-butyl-1H-indole;ethane;methane
SMILESC.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C1=CCc2ccccc21.CC(C)(C)c1cc2ccccc2[nH]1.CC(C)(C)c1ccc2c(c1)C=CC2.CC(C)(C)c1ccc2c(c1)CC=C2.CC(C)(C)c1cccc2c1C=CC2.CC(C)(C)c1cccc2cc[nH]c12.CC(C)(C)n1ccc2ccccc21
InChIInChI=1S/4C13H16.3C12H15N.14C2H6.3CH4/c1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;2*1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-13(2,3)12-9-8-10-6-4-5-7-11(10)12;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-12(2,3)13-9-8-10-6-4-5-7-11(10)13;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;14*1-2;;;/h4-5,7-9H,6H2,1-3H3;4,6-9H,5H2,1-3H3;4-5,7-9H,6H2,1-3H3;4-7,9H,8H2,1-3H3;4-8,13H,1-3H3;4-9H,1-3H3;4-8,13H,1-3H3;14*1-2H3;3*1H4
InChIKeyLXOKDPQIZBAYPI-UHFFFAOYSA-N
XLogP40.93
TPSA36.51 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms122
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001677.97
LogP ≤ 540.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 3-tert-butyl-1H-indene;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;1-tert-butylindole;2-tert-butyl-1H-indole;7-tert-butyl-1H-indole;ethane;methane with MolForge

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Related Compounds

6-tert-butyl-1H-indene;1-tert-butylindole;5-tert-butyl-1H-indole;7-tert-butyl-1H-indole;4-tert-butyl-1H-pyrazole;bis(5-tert-butyl-1H-pyrazole);ethane
CID 167669523
6-tert-butyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;7-tert-butyl-1H-indene;ethane
CID 167618466
5-tert-butyl-1,3-benzodioxole;6-tert-butyl-1H-indazole;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indole;7-tert-butyl-1H-indole;4-tert-butyl-1H-isoindole;2-tert-butylquinoline;8-tert-butylquinoline;5-tert-butyl-1,2,3,4-tetrahydronaphthalene
CID 158407732
6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene-2-carbonitrile;7-tert-butyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-2,3,4,9-tetrahydro-1H-fluorene;6-tert-butyl-5-(trifluoromethyl)-1H-indole;3,6-ditert-butyl-1H-indole;5,6-ditert-butyl-1H-indole
CID 159501951
3,5-ditert-butyl-1H-indene
CID 20675508
tert-butylbenzene;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;7-tert-butyl-1H-indole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole
CID 167577006
9-tert-butyl-3H-cyclopenta[a]naphthalene
CID 148527121
1-tert-butylindole;9H-carbazole;bis(6,7-dihydro-5H-cyclopenta[b]pyridine);octakis(2,2-dimethylpropane);ethane;bis(9H-fluorene);bis(1H-indene);2-methylpropane;4,5,6,7-tetrahydro-1-benzothiophene;5,6,7,8-tetrahydro-3H-thieno[1,2-a]thiopyran
CID 157370708
(E)-1-(1H-inden-5-yl)-N-[(E)-1H-indol-5-ylmethylideneamino]methanimine
CID 118543204
4-tert-butyl-1-benzofuran;7-tert-butyl-1H-indole
CID 167565439
5-tert-butyl-6-chloro-1H-indene
CID 58201794
2,2-dimethylpropane;1H-indene
CID 91444603

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1H-indene;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;1-tert-butylindole;2-tert-butyl-1H-indole;7-tert-butyl-1H-indole;ethane;methane?
The IUPAC name of 3-tert-butyl-1H-indene;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;1-tert-butylindole;2-tert-butyl-1H-indole;7-tert-butyl-1H-indole;ethane;methane (CID 167617258) is 3-tert-butyl-1H-indene;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;1-tert-butylindole;2-tert-butyl-1H-indole;7-tert-butyl-1H-indole;ethane;methane.
What is the SMILES notation for 3-tert-butyl-1H-indene;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;1-tert-butylindole;2-tert-butyl-1H-indole;7-tert-butyl-1H-indole;ethane;methane?
The canonical SMILES for 3-tert-butyl-1H-indene;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;1-tert-butylindole;2-tert-butyl-1H-indole;7-tert-butyl-1H-indole;ethane;methane is C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C1=CCc2ccccc21.CC(C)(C)c1cc2ccccc2[nH]1.CC(C)(C)c1ccc2c(c1)C=CC2.CC(C)(C)c1ccc2c(c1)CC=C2.CC(C)(C)c1cccc2c1C=CC2.CC(C)(C)c1cccc2cc[nH]c12.CC(C)(C)n1ccc2ccccc21.
What is the InChIKey of 3-tert-butyl-1H-indene;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;1-tert-butylindole;2-tert-butyl-1H-indole;7-tert-butyl-1H-indole;ethane;methane?
The InChIKey is LXOKDPQIZBAYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/4C13H16.3C12H15N.14C2H6.3CH4/c1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;2*1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-13(2,3)12-9-8-10-6-4-5-7-11(10)12;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-12(2,3)13-9-8-10-6-4-5-7-11(10)13;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;14*1-2;;;/h4-5,7-9H,6H2,1-3H3;4,6-9H,5H2,1-3H3;4-5,7-9H,6H2,1-3H3;4-7,9H,8H2,1-3H3;4-8,13H,1-3H3;4-9H,1-3H3;4-8,13H,1-3H3;14*1-2H3;3*1H4.
What are the key properties of 3-tert-butyl-1H-indene;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;1-tert-butylindole;2-tert-butyl-1H-indole;7-tert-butyl-1H-indole;ethane;methane?
3-tert-butyl-1H-indene;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;1-tert-butylindole;2-tert-butyl-1H-indole;7-tert-butyl-1H-indole;ethane;methane has a molecular weight of 1677.97 g/mol, XLogP of 40.93, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1H-indene;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;1-tert-butylindole;2-tert-butyl-1H-indole;7-tert-butyl-1H-indole;ethane;methane is sourced from PubChem (CID 167617258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).