bis(2,3-dihydro-1H-indole);1,5-dimethyl-2,3-dihydroindole;ethane;5-ethyl-1-methyl-2,3-dihydroindole;bis(1H-indole);bis(1-methyl-2,3-dihydroindole);5-methyl-2,3-dihydro-1H-indole;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone;5-methyl-1H-indol-6-amine;5-methyl-6-nitro-2,3-dihydro-1H-indole;5-methyl-6-nitro-1H-indole

C144H212N16O5 — CID 159389877

IUPACbis(2,3-dihydro-1H-indole);1,5-dimethyl-2,3-dihydroindole;ethane;5-ethyl-1-methyl-2,3-dihydroindole;bis(1H-indole);bis(1-methyl-2,3-dihydroindole);5-methyl-2,3-dihydro-1H-indole;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone;5-methyl-1H-indol-6-amine;5-methyl-6-nitro-2,3-dihydro-1H-indole;5-methyl-6-nitro-1H-indole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(=O)c1ccc2c(c1)CCN2C.CCc1ccc2c(c1)CCN2C.CN1CCc2ccccc21.CN1CCc2ccccc21.Cc1cc2c(cc1[N+](=O)[O-])NCC2.Cc1cc2cc[nH]c2cc1N.Cc1cc2cc[nH]c2cc1[N+](=O)[O-].Cc1ccc2c(c1)CCN2.Cc1ccc2c(c1)CCN2C.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCN2
InChIInChI=1S/C11H13NO.C11H15N.C10H13N.C9H10N2O2.C9H8N2O2.C9H10N2.3C9H11N.2C8H9N.2C8H7N.13C2H6/c1-8(13)9-3-4-11-10(7-9)5-6-12(11)2;1-3-9-4-5-11-10(8-9)6-7-12(11)2;1-8-3-4-10-9(7-8)5-6-11(10)2;2*1-6-4-7-2-3-10-8(7)5-9(6)11(12)13;1-6-4-7-2-3-11-9(7)5-8(6)10;1-7-2-3-9-8(6-7)4-5-10-9;2*1-10-7-6-8-4-2-3-5-9(8)10;4*1-2-4-8-7(3-1)5-6-9-8;13*1-2/h3-4,7H,5-6H2,1-2H3;4-5,8H,3,6-7H2,1-2H3;3-4,7H,5-6H2,1-2H3;4-5,10H,2-3H2,1H3;2-5,10H,1H3;2-5,11H,10H2,1H3;2-3,6,10H,4-5H2,1H3;2*2-5H,6-7H2,1H3;2*1-4,9H,5-6H2;2*1-6,9H;13*1-2H3
InChIKeyLLYZPBPOLXDBEN-UHFFFAOYSA-N
MW2247.39 g/mol
LogP38.73
Rot. Bonds4

About bis(2,3-dihydro-1H-indole);1,5-dimethyl-2,3-dihydroindole;ethane;5-ethyl-1-methyl-2,3-dihydroindole;bis(1H-indole);bis(1-methyl-2,3-dihydroindole);5-methyl-2,3-dihydro-1H-indole;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone;5-methyl-1H-indol-6-amine;5-methyl-6-nitro-2,3-dihydro-1H-indole;5-methyl-6-nitro-1H-indole

bis(2,3-dihydro-1H-indole);1,5-dimethyl-2,3-dihydroindole;ethane;5-ethyl-1-methyl-2,3-dihydroindole;bis(1H-indole);bis(1-methyl-2,3-dihydroindole);5-methyl-2,3-dihydro-1H-indole;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone;5-methyl-1H-indol-6-amine;5-methyl-6-nitro-2,3-dihydro-1H-indole;5-methyl-6-nitro-1H-indole (PubChem CID 159389877) has the molecular formula C144H212N16O5 and a molecular weight of 2247.39 g/mol. Its IUPAC name is bis(2,3-dihydro-1H-indole);1,5-dimethyl-2,3-dihydroindole;ethane;5-ethyl-1-methyl-2,3-dihydroindole;bis(1H-indole);bis(1-methyl-2,3-dihydroindole);5-methyl-2,3-dihydro-1H-indole;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone;5-methyl-1H-indol-6-amine;5-methyl-6-nitro-2,3-dihydro-1H-indole;5-methyl-6-nitro-1H-indole.

Molecular Properties

Compound Namebis(2,3-dihydro-1H-indole);1,5-dimethyl-2,3-dihydroindole;ethane;5-ethyl-1-methyl-2,3-dihydroindole;bis(1H-indole);bis(1-methyl-2,3-dihydroindole);5-methyl-2,3-dihydro-1H-indole;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone;5-methyl-1H-indol-6-amine;5-methyl-6-nitro-2,3-dihydro-1H-indole;5-methyl-6-nitro-1H-indole
PubChem CID159389877
Molecular FormulaC144H212N16O5
Molecular Weight2247.39 g/mol
Exact Mass2245.68
IUPAC Namebis(2,3-dihydro-1H-indole);1,5-dimethyl-2,3-dihydroindole;ethane;5-ethyl-1-methyl-2,3-dihydroindole;bis(1H-indole);bis(1-methyl-2,3-dihydroindole);5-methyl-2,3-dihydro-1H-indole;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone;5-methyl-1H-indol-6-amine;5-methyl-6-nitro-2,3-dihydro-1H-indole;5-methyl-6-nitro-1H-indole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(=O)c1ccc2c(c1)CCN2C.CCc1ccc2c(c1)CCN2C.CN1CCc2ccccc21.CN1CCc2ccccc21.Cc1cc2c(cc1[N+](=O)[O-])NCC2.Cc1cc2cc[nH]c2cc1N.Cc1cc2cc[nH]c2cc1[N+](=O)[O-].Cc1ccc2c(c1)CCN2.Cc1ccc2c(c1)CCN2C.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCN2
InChIInChI=1S/C11H13NO.C11H15N.C10H13N.C9H10N2O2.C9H8N2O2.C9H10N2.3C9H11N.2C8H9N.2C8H7N.13C2H6/c1-8(13)9-3-4-11-10(7-9)5-6-12(11)2;1-3-9-4-5-11-10(8-9)6-7-12(11)2;1-8-3-4-10-9(7-8)5-6-11(10)2;2*1-6-4-7-2-3-10-8(7)5-9(6)11(12)13;1-6-4-7-2-3-11-9(7)5-8(6)10;1-7-2-3-9-8(6-7)4-5-10-9;2*1-10-7-6-8-4-2-3-5-9(8)10;4*1-2-4-8-7(3-1)5-6-9-8;13*1-2/h3-4,7H,5-6H2,1-2H3;4-5,8H,3,6-7H2,1-2H3;3-4,7H,5-6H2,1-2H3;4-5,10H,2-3H2,1H3;2-5,10H,1H3;2-5,11H,10H2,1H3;2-3,6,10H,4-5H2,1H3;2*2-5H,6-7H2,1H3;2*1-4,9H,5-6H2;2*1-6,9H;13*1-2H3
InChIKeyLLYZPBPOLXDBEN-UHFFFAOYSA-N
XLogP38.73
TPSA256.85 Ų
H-Bond Donors9
H-Bond Acceptors15
Rotatable Bonds4
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002247.39
LogP ≤ 538.73
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze bis(2,3-dihydro-1H-indole);1,5-dimethyl-2,3-dihydroindole;ethane;5-ethyl-1-methyl-2,3-dihydroindole;bis(1H-indole);bis(1-methyl-2,3-dihydroindole);5-methyl-2,3-dihydro-1H-indole;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone;5-methyl-1H-indol-6-amine;5-methyl-6-nitro-2,3-dihydro-1H-indole;5-methyl-6-nitro-1H-indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(2,3-dihydro-1H-indole);1,5-dimethyl-2,3-dihydroindole;ethane;5-ethyl-1-methyl-2,3-dihydroindole;bis(1H-indole);bis(1-methyl-2,3-dihydroindole);5-methyl-2,3-dihydro-1H-indole;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone;5-methyl-1H-indol-6-amine;5-methyl-6-nitro-2,3-dihydro-1H-indole;5-methyl-6-nitro-1H-indole?
The IUPAC name of bis(2,3-dihydro-1H-indole);1,5-dimethyl-2,3-dihydroindole;ethane;5-ethyl-1-methyl-2,3-dihydroindole;bis(1H-indole);bis(1-methyl-2,3-dihydroindole);5-methyl-2,3-dihydro-1H-indole;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone;5-methyl-1H-indol-6-amine;5-methyl-6-nitro-2,3-dihydro-1H-indole;5-methyl-6-nitro-1H-indole (CID 159389877) is bis(2,3-dihydro-1H-indole);1,5-dimethyl-2,3-dihydroindole;ethane;5-ethyl-1-methyl-2,3-dihydroindole;bis(1H-indole);bis(1-methyl-2,3-dihydroindole);5-methyl-2,3-dihydro-1H-indole;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone;5-methyl-1H-indol-6-amine;5-methyl-6-nitro-2,3-dihydro-1H-indole;5-methyl-6-nitro-1H-indole.
What is the SMILES notation for bis(2,3-dihydro-1H-indole);1,5-dimethyl-2,3-dihydroindole;ethane;5-ethyl-1-methyl-2,3-dihydroindole;bis(1H-indole);bis(1-methyl-2,3-dihydroindole);5-methyl-2,3-dihydro-1H-indole;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone;5-methyl-1H-indol-6-amine;5-methyl-6-nitro-2,3-dihydro-1H-indole;5-methyl-6-nitro-1H-indole?
The canonical SMILES for bis(2,3-dihydro-1H-indole);1,5-dimethyl-2,3-dihydroindole;ethane;5-ethyl-1-methyl-2,3-dihydroindole;bis(1H-indole);bis(1-methyl-2,3-dihydroindole);5-methyl-2,3-dihydro-1H-indole;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone;5-methyl-1H-indol-6-amine;5-methyl-6-nitro-2,3-dihydro-1H-indole;5-methyl-6-nitro-1H-indole is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(=O)c1ccc2c(c1)CCN2C.CCc1ccc2c(c1)CCN2C.CN1CCc2ccccc21.CN1CCc2ccccc21.Cc1cc2c(cc1[N+](=O)[O-])NCC2.Cc1cc2cc[nH]c2cc1N.Cc1cc2cc[nH]c2cc1[N+](=O)[O-].Cc1ccc2c(c1)CCN2.Cc1ccc2c(c1)CCN2C.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCN2.
What is the InChIKey of bis(2,3-dihydro-1H-indole);1,5-dimethyl-2,3-dihydroindole;ethane;5-ethyl-1-methyl-2,3-dihydroindole;bis(1H-indole);bis(1-methyl-2,3-dihydroindole);5-methyl-2,3-dihydro-1H-indole;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone;5-methyl-1H-indol-6-amine;5-methyl-6-nitro-2,3-dihydro-1H-indole;5-methyl-6-nitro-1H-indole?
The InChIKey is LLYZPBPOLXDBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO.C11H15N.C10H13N.C9H10N2O2.C9H8N2O2.C9H10N2.3C9H11N.2C8H9N.2C8H7N.13C2H6/c1-8(13)9-3-4-11-10(7-9)5-6-12(11)2;1-3-9-4-5-11-10(8-9)6-7-12(11)2;1-8-3-4-10-9(7-8)5-6-11(10)2;2*1-6-4-7-2-3-10-8(7)5-9(6)11(12)13;1-6-4-7-2-3-11-9(7)5-8(6)10;1-7-2-3-9-8(6-7)4-5-10-9;2*1-10-7-6-8-4-2-3-5-9(8)10;4*1-2-4-8-7(3-1)5-6-9-8;13*1-2/h3-4,7H,5-6H2,1-2H3;4-5,8H,3,6-7H2,1-2H3;3-4,7H,5-6H2,1-2H3;4-5,10H,2-3H2,1H3;2-5,10H,1H3;2-5,11H,10H2,1H3;2-3,6,10H,4-5H2,1H3;2*2-5H,6-7H2,1H3;2*1-4,9H,5-6H2;2*1-6,9H;13*1-2H3.
What are the key properties of bis(2,3-dihydro-1H-indole);1,5-dimethyl-2,3-dihydroindole;ethane;5-ethyl-1-methyl-2,3-dihydroindole;bis(1H-indole);bis(1-methyl-2,3-dihydroindole);5-methyl-2,3-dihydro-1H-indole;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone;5-methyl-1H-indol-6-amine;5-methyl-6-nitro-2,3-dihydro-1H-indole;5-methyl-6-nitro-1H-indole?
bis(2,3-dihydro-1H-indole);1,5-dimethyl-2,3-dihydroindole;ethane;5-ethyl-1-methyl-2,3-dihydroindole;bis(1H-indole);bis(1-methyl-2,3-dihydroindole);5-methyl-2,3-dihydro-1H-indole;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone;5-methyl-1H-indol-6-amine;5-methyl-6-nitro-2,3-dihydro-1H-indole;5-methyl-6-nitro-1H-indole has a molecular weight of 2247.39 g/mol, XLogP of 38.73, 4 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-dihydro-1H-indole);1,5-dimethyl-2,3-dihydroindole;ethane;5-ethyl-1-methyl-2,3-dihydroindole;bis(1H-indole);bis(1-methyl-2,3-dihydroindole);5-methyl-2,3-dihydro-1H-indole;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone;5-methyl-1H-indol-6-amine;5-methyl-6-nitro-2,3-dihydro-1H-indole;5-methyl-6-nitro-1H-indole is sourced from PubChem (CID 159389877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).