bis(5-(2,3-dihydro-1H-inden-4-yl)-1-ethyl-2,3-dihydroindole);bis(5-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-2,3-dihydroindole);methane

C84H116N4 — CID 159127682

About bis(5-(2,3-dihydro-1H-inden-4-yl)-1-ethyl-2,3-dihydroindole);bis(5-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-2,3-dihydroindole);methane

bis(5-(2,3-dihydro-1H-inden-4-yl)-1-ethyl-2,3-dihydroindole);bis(5-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-2,3-dihydroindole);methane (PubChem CID 159127682) has the molecular formula C84H116N4 and a molecular weight of 1181.88 g/mol. Its IUPAC name is bis(5-(2,3-dihydro-1H-inden-4-yl)-1-ethyl-2,3-dihydroindole);bis(5-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-2,3-dihydroindole);methane.

Molecular Properties

• Compound Name: bis(5-(2,3-dihydro-1H-inden-4-yl)-1-ethyl-2,3-dihydroindole);bis(5-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-2,3-dihydroindole);methane
• PubChem CID: 159127682
• Molecular Formula: C84H116N4
• Molecular Weight: 1181.88 g/mol
• Exact Mass: 1180.92
• IUPAC Name: bis(5-(2,3-dihydro-1H-inden-4-yl)-1-ethyl-2,3-dihydroindole);bis(5-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-2,3-dihydroindole);methane
• SMILES: C.C.C.C.C.C.C.C.CCN1CCc2cc(-c3ccc4c(c3)CCC4)ccc21.CCN1CCc2cc(-c3ccc4c(c3)CCC4)ccc21.CCN1CCc2cc(-c3cccc4c3CCC4)ccc21.CCN1CCc2cc(-c3cccc4c3CCC4)ccc21
• InChI: InChI=1S/4C19H21N.8CH4/c2*1-2-20-12-11-16-13-15(9-10-19(16)20)18-8-4-6-14-5-3-7-17(14)18;2*1-2-20-11-10-18-13-17(8-9-19(18)20)16-7-6-14-4-3-5-15(14)12-16;;;;;;;;/h2*4,6,8-10,13H,2-3,5,7,11-12H2,1H3;2*6-9,12-13H,2-5,10-11H2,1H3;8*1H4
• InChIKey: KGMJHOCQSOIAAQ-UHFFFAOYSA-N
• XLogP: 21.99
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1181.88
LogP ≤ 5	21.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of bis(5-(2,3-dihydro-1H-inden-4-yl)-1-ethyl-2,3-dihydroindole);bis(5-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-2,3-dihydroindole);methane?

The IUPAC name of bis(5-(2,3-dihydro-1H-inden-4-yl)-1-ethyl-2,3-dihydroindole);bis(5-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-2,3-dihydroindole);methane (CID 159127682) is bis(5-(2,3-dihydro-1H-inden-4-yl)-1-ethyl-2,3-dihydroindole);bis(5-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-2,3-dihydroindole);methane.

What is the SMILES notation for bis(5-(2,3-dihydro-1H-inden-4-yl)-1-ethyl-2,3-dihydroindole);bis(5-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-2,3-dihydroindole);methane?

The canonical SMILES for bis(5-(2,3-dihydro-1H-inden-4-yl)-1-ethyl-2,3-dihydroindole);bis(5-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-2,3-dihydroindole);methane is C.C.C.C.C.C.C.C.CCN1CCc2cc(-c3ccc4c(c3)CCC4)ccc21.CCN1CCc2cc(-c3ccc4c(c3)CCC4)ccc21.CCN1CCc2cc(-c3cccc4c3CCC4)ccc21.CCN1CCc2cc(-c3cccc4c3CCC4)ccc21.

What is the InChIKey of bis(5-(2,3-dihydro-1H-inden-4-yl)-1-ethyl-2,3-dihydroindole);bis(5-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-2,3-dihydroindole);methane?

The InChIKey is KGMJHOCQSOIAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C19H21N.8CH4/c2*1-2-20-12-11-16-13-15(9-10-19(16)20)18-8-4-6-14-5-3-7-17(14)18;2*1-2-20-11-10-18-13-17(8-9-19(18)20)16-7-6-14-4-3-5-15(14)12-16;;;;;;;;/h2*4,6,8-10,13H,2-3,5,7,11-12H2,1H3;2*6-9,12-13H,2-5,10-11H2,1H3;8*1H4.

What are the key properties of bis(5-(2,3-dihydro-1H-inden-4-yl)-1-ethyl-2,3-dihydroindole);bis(5-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-2,3-dihydroindole);methane?

bis(5-(2,3-dihydro-1H-inden-4-yl)-1-ethyl-2,3-dihydroindole);bis(5-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-2,3-dihydroindole);methane has a molecular weight of 1181.88 g/mol, XLogP of 21.99, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for bis(5-(2,3-dihydro-1H-inden-4-yl)-1-ethyl-2,3-dihydroindole);bis(5-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-2,3-dihydroindole);methane is sourced from PubChem (CID 159127682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).