cyclohexanone;3-(cyclohexen-1-yl)-5-nitro-1H-indole;[3-(cyclohexen-1-yl)-5-nitroindol-1-yl]-tri(propan-2-yl)silane;3-cyclohexyl-1-tri(propan-2-yl)silylindol-5-amine;5-nitro-1H-indole

C74H102N8O7Si2 — CID 160507091

IUPACcyclohexanone;3-(cyclohexen-1-yl)-5-nitro-1H-indole;[3-(cyclohexen-1-yl)-5-nitroindol-1-yl]-tri(propan-2-yl)silane;3-cyclohexyl-1-tri(propan-2-yl)silylindol-5-amine;5-nitro-1H-indole
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc(C2=CCCCC2)c2cc([N+](=O)[O-])ccc21.CC(C)[Si](C(C)C)(C(C)C)n1cc(C2CCCCC2)c2cc(N)ccc21.O=C1CCCCC1.O=[N+]([O-])c1ccc2[nH]cc(C3=CCCCC3)c2c1.O=[N+]([O-])c1ccc2[nH]ccc2c1
InChIInChI=1S/C23H34N2O2Si.C23H38N2Si.C14H14N2O2.C8H6N2O2.C6H10O/c1-16(2)28(17(3)4,18(5)6)24-15-22(19-10-8-7-9-11-19)21-14-20(25(26)27)12-13-23(21)24;1-16(2)26(17(3)4,18(5)6)25-15-22(19-10-8-7-9-11-19)21-14-20(24)12-13-23(21)25;17-16(18)11-6-7-14-12(8-11)13(9-15-14)10-4-2-1-3-5-10;11-10(12)7-1-2-8-6(5-7)3-4-9-8;7-6-4-2-1-3-5-6/h10,12-18H,7-9,11H2,1-6H3;12-19H,7-11,24H2,1-6H3;4,6-9,15H,1-3,5H2;1-5,9H;1-5H2
InChIKeyQSOBVJJECZVOBR-UHFFFAOYSA-N
MW1271.85 g/mol
LogP22.45
Rot. Bonds14

About cyclohexanone;3-(cyclohexen-1-yl)-5-nitro-1H-indole;[3-(cyclohexen-1-yl)-5-nitroindol-1-yl]-tri(propan-2-yl)silane;3-cyclohexyl-1-tri(propan-2-yl)silylindol-5-amine;5-nitro-1H-indole

cyclohexanone;3-(cyclohexen-1-yl)-5-nitro-1H-indole;[3-(cyclohexen-1-yl)-5-nitroindol-1-yl]-tri(propan-2-yl)silane;3-cyclohexyl-1-tri(propan-2-yl)silylindol-5-amine;5-nitro-1H-indole (PubChem CID 160507091) has the molecular formula C74H102N8O7Si2 and a molecular weight of 1271.85 g/mol. Its IUPAC name is cyclohexanone;3-(cyclohexen-1-yl)-5-nitro-1H-indole;[3-(cyclohexen-1-yl)-5-nitroindol-1-yl]-tri(propan-2-yl)silane;3-cyclohexyl-1-tri(propan-2-yl)silylindol-5-amine;5-nitro-1H-indole.

Molecular Properties

Compound Namecyclohexanone;3-(cyclohexen-1-yl)-5-nitro-1H-indole;[3-(cyclohexen-1-yl)-5-nitroindol-1-yl]-tri(propan-2-yl)silane;3-cyclohexyl-1-tri(propan-2-yl)silylindol-5-amine;5-nitro-1H-indole
PubChem CID160507091
Molecular FormulaC74H102N8O7Si2
Molecular Weight1271.85 g/mol
Exact Mass1270.74
IUPAC Namecyclohexanone;3-(cyclohexen-1-yl)-5-nitro-1H-indole;[3-(cyclohexen-1-yl)-5-nitroindol-1-yl]-tri(propan-2-yl)silane;3-cyclohexyl-1-tri(propan-2-yl)silylindol-5-amine;5-nitro-1H-indole
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc(C2=CCCCC2)c2cc([N+](=O)[O-])ccc21.CC(C)[Si](C(C)C)(C(C)C)n1cc(C2CCCCC2)c2cc(N)ccc21.O=C1CCCCC1.O=[N+]([O-])c1ccc2[nH]cc(C3=CCCCC3)c2c1.O=[N+]([O-])c1ccc2[nH]ccc2c1
InChIInChI=1S/C23H34N2O2Si.C23H38N2Si.C14H14N2O2.C8H6N2O2.C6H10O/c1-16(2)28(17(3)4,18(5)6)24-15-22(19-10-8-7-9-11-19)21-14-20(25(26)27)12-13-23(21)24;1-16(2)26(17(3)4,18(5)6)25-15-22(19-10-8-7-9-11-19)21-14-20(24)12-13-23(21)25;17-16(18)11-6-7-14-12(8-11)13(9-15-14)10-4-2-1-3-5-10;11-10(12)7-1-2-8-6(5-7)3-4-9-8;7-6-4-2-1-3-5-6/h10,12-18H,7-9,11H2,1-6H3;12-19H,7-11,24H2,1-6H3;4,6-9,15H,1-3,5H2;1-5,9H;1-5H2
InChIKeyQSOBVJJECZVOBR-UHFFFAOYSA-N
XLogP22.45
TPSA213.95 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001271.85
LogP ≤ 522.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexanone;3-(cyclohexen-1-yl)-5-nitro-1H-indole;[3-(cyclohexen-1-yl)-5-nitroindol-1-yl]-tri(propan-2-yl)silane;3-cyclohexyl-1-tri(propan-2-yl)silylindol-5-amine;5-nitro-1H-indole?
The IUPAC name of cyclohexanone;3-(cyclohexen-1-yl)-5-nitro-1H-indole;[3-(cyclohexen-1-yl)-5-nitroindol-1-yl]-tri(propan-2-yl)silane;3-cyclohexyl-1-tri(propan-2-yl)silylindol-5-amine;5-nitro-1H-indole (CID 160507091) is cyclohexanone;3-(cyclohexen-1-yl)-5-nitro-1H-indole;[3-(cyclohexen-1-yl)-5-nitroindol-1-yl]-tri(propan-2-yl)silane;3-cyclohexyl-1-tri(propan-2-yl)silylindol-5-amine;5-nitro-1H-indole.
What is the SMILES notation for cyclohexanone;3-(cyclohexen-1-yl)-5-nitro-1H-indole;[3-(cyclohexen-1-yl)-5-nitroindol-1-yl]-tri(propan-2-yl)silane;3-cyclohexyl-1-tri(propan-2-yl)silylindol-5-amine;5-nitro-1H-indole?
The canonical SMILES for cyclohexanone;3-(cyclohexen-1-yl)-5-nitro-1H-indole;[3-(cyclohexen-1-yl)-5-nitroindol-1-yl]-tri(propan-2-yl)silane;3-cyclohexyl-1-tri(propan-2-yl)silylindol-5-amine;5-nitro-1H-indole is CC(C)[Si](C(C)C)(C(C)C)n1cc(C2=CCCCC2)c2cc([N+](=O)[O-])ccc21.CC(C)[Si](C(C)C)(C(C)C)n1cc(C2CCCCC2)c2cc(N)ccc21.O=C1CCCCC1.O=[N+]([O-])c1ccc2[nH]cc(C3=CCCCC3)c2c1.O=[N+]([O-])c1ccc2[nH]ccc2c1.
What is the InChIKey of cyclohexanone;3-(cyclohexen-1-yl)-5-nitro-1H-indole;[3-(cyclohexen-1-yl)-5-nitroindol-1-yl]-tri(propan-2-yl)silane;3-cyclohexyl-1-tri(propan-2-yl)silylindol-5-amine;5-nitro-1H-indole?
The InChIKey is QSOBVJJECZVOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2Si.C23H38N2Si.C14H14N2O2.C8H6N2O2.C6H10O/c1-16(2)28(17(3)4,18(5)6)24-15-22(19-10-8-7-9-11-19)21-14-20(25(26)27)12-13-23(21)24;1-16(2)26(17(3)4,18(5)6)25-15-22(19-10-8-7-9-11-19)21-14-20(24)12-13-23(21)25;17-16(18)11-6-7-14-12(8-11)13(9-15-14)10-4-2-1-3-5-10;11-10(12)7-1-2-8-6(5-7)3-4-9-8;7-6-4-2-1-3-5-6/h10,12-18H,7-9,11H2,1-6H3;12-19H,7-11,24H2,1-6H3;4,6-9,15H,1-3,5H2;1-5,9H;1-5H2.
What are the key properties of cyclohexanone;3-(cyclohexen-1-yl)-5-nitro-1H-indole;[3-(cyclohexen-1-yl)-5-nitroindol-1-yl]-tri(propan-2-yl)silane;3-cyclohexyl-1-tri(propan-2-yl)silylindol-5-amine;5-nitro-1H-indole?
cyclohexanone;3-(cyclohexen-1-yl)-5-nitro-1H-indole;[3-(cyclohexen-1-yl)-5-nitroindol-1-yl]-tri(propan-2-yl)silane;3-cyclohexyl-1-tri(propan-2-yl)silylindol-5-amine;5-nitro-1H-indole has a molecular weight of 1271.85 g/mol, XLogP of 22.45, 14 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanone;3-(cyclohexen-1-yl)-5-nitro-1H-indole;[3-(cyclohexen-1-yl)-5-nitroindol-1-yl]-tri(propan-2-yl)silane;3-cyclohexyl-1-tri(propan-2-yl)silylindol-5-amine;5-nitro-1H-indole is sourced from PubChem (CID 160507091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).