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

C79H119N — CID 167618466

IUPAC6-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
SMILESCC.CC.CC.CC.CC.CC.CC(C)(C)c1ccc2c(c1)C=CC2.CC(C)(C)c1ccc2c(c1)CC=C2.CC(C)(C)c1ccc2c(c1)cc1n2CCC1.CC(C)(C)c1cccc2c1C=CC2.CC(C)(C)c1cccc2c1CC=C2
InChIInChI=1S/C15H19N.4C13H16.6C2H6/c1-15(2,3)12-6-7-14-11(9-12)10-13-5-4-8-16(13)14;2*1-13(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;6*1-2/h6-7,9-10H,4-5,8H2,1-3H3;4-5,7-9H,6H2,1-3H3;4-7,9H,8H2,1-3H3;4,6-9H,5H2,1-3H3;4-5,7-9H,6H2,1-3H3;6*1-2H3
InChIKeyMCBRWYHNLQYITJ-UHFFFAOYSA-N
MW1082.83 g/mol
LogP24.26
Rot. Bonds

About 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

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 (PubChem CID 167618466) has the molecular formula C79H119N and a molecular weight of 1082.83 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID167618466
Molecular FormulaC79H119N
Molecular Weight1082.83 g/mol
Exact Mass1081.93
IUPAC Name6-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
SMILESCC.CC.CC.CC.CC.CC.CC(C)(C)c1ccc2c(c1)C=CC2.CC(C)(C)c1ccc2c(c1)CC=C2.CC(C)(C)c1ccc2c(c1)cc1n2CCC1.CC(C)(C)c1cccc2c1C=CC2.CC(C)(C)c1cccc2c1CC=C2
InChIInChI=1S/C15H19N.4C13H16.6C2H6/c1-15(2,3)12-6-7-14-11(9-12)10-13-5-4-8-16(13)14;2*1-13(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;6*1-2/h6-7,9-10H,4-5,8H2,1-3H3;4-5,7-9H,6H2,1-3H3;4-7,9H,8H2,1-3H3;4,6-9H,5H2,1-3H3;4-5,7-9H,6H2,1-3H3;6*1-2H3
InChIKeyMCBRWYHNLQYITJ-UHFFFAOYSA-N
XLogP24.26
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001082.83
LogP ≤ 524.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 with MolForge

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Related Compounds

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
9-tert-butyl-3H-cyclopenta[a]naphthalene
CID 148527121
2,2-dimethylpropane;1H-indene
CID 91444603
bis(2,3-dihydro-1H-indene);hexakis(2,2-dimethylpropane);tetrakis(1H-indene)
CID 158590082
methane;4-methyl-1,3-dihydroinden-2-one;4-methyl-1H-indene;5-methyl-1H-indene;6-methyl-1H-indene;7-methyl-1H-indene;4-methyl-2-methylidene-1,3-dihydroindene;bis(5-methyl-2-methylidene-1,3-dihydroindene)
CID 165069498
4-tert-butyl-2,3-dihydro-1H-isoindole;5-tert-butyl-2,3-dihydro-1H-isoindole
CID 162048255
2,3-dihydro-1H-indene;bis(2,2-dimethylpropane);1H-indene;methane
CID 157086025
7-tert-butyl-1,2-dihydronaphthalene
CID 58093565
5-tert-butyl-6-chloro-1H-indene
CID 58201794
6-tert-butyl-1H-indene;6-tert-butylquinoxaline
CID 161072666
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
7-(4-tert-butylphenyl)-1H-indene
CID 91144251

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccc2c(c1)C=CC2.CC(C)(C)c1ccc2c(c1)CC=C2.CC(C)(C)c1ccc2c(c1)cc1n2CCC1.CC(C)(C)c1cccc2c1C=CC2.CC(C)(C)c1cccc2c1CC=C2.
What is the InChIKey of 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?
The InChIKey is MCBRWYHNLQYITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N.4C13H16.6C2H6/c1-15(2,3)12-6-7-14-11(9-12)10-13-5-4-8-16(13)14;2*1-13(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;6*1-2/h6-7,9-10H,4-5,8H2,1-3H3;4-5,7-9H,6H2,1-3H3;4-7,9H,8H2,1-3H3;4,6-9H,5H2,1-3H3;4-5,7-9H,6H2,1-3H3;6*1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1082.83 g/mol, XLogP of 24.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167618466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).