6-bromo-3-(cyclohexen-1-yl)-1H-indole;6-bromo-3-cyclohexyl-1H-indole;(6-bromo-3-cyclohexylindol-1-yl)-tri(propan-2-yl)silane;6-bromo-1H-indole;cyclohexanone

C65H82Br4N4OSi — CID 162160169

About 6-bromo-3-(cyclohexen-1-yl)-1H-indole;6-bromo-3-cyclohexyl-1H-indole;(6-bromo-3-cyclohexylindol-1-yl)-tri(propan-2-yl)silane;6-bromo-1H-indole;cyclohexanone

6-bromo-3-(cyclohexen-1-yl)-1H-indole;6-bromo-3-cyclohexyl-1H-indole;(6-bromo-3-cyclohexylindol-1-yl)-tri(propan-2-yl)silane;6-bromo-1H-indole;cyclohexanone (PubChem CID 162160169) has the molecular formula C65H82Br4N4OSi and a molecular weight of 1283.10 g/mol. Its IUPAC name is 6-bromo-3-(cyclohexen-1-yl)-1H-indole;6-bromo-3-cyclohexyl-1H-indole;(6-bromo-3-cyclohexylindol-1-yl)-tri(propan-2-yl)silane;6-bromo-1H-indole;cyclohexanone.

Molecular Properties

• Compound Name: 6-bromo-3-(cyclohexen-1-yl)-1H-indole;6-bromo-3-cyclohexyl-1H-indole;(6-bromo-3-cyclohexylindol-1-yl)-tri(propan-2-yl)silane;6-bromo-1H-indole;cyclohexanone
• PubChem CID: 162160169
• Molecular Formula: C65H82Br4N4OSi
• Molecular Weight: 1283.10 g/mol
• Exact Mass: 1278.30
• IUPAC Name: 6-bromo-3-(cyclohexen-1-yl)-1H-indole;6-bromo-3-cyclohexyl-1H-indole;(6-bromo-3-cyclohexylindol-1-yl)-tri(propan-2-yl)silane;6-bromo-1H-indole;cyclohexanone
• SMILES: Brc1ccc2c(C3=CCCCC3)c[nH]c2c1.Brc1ccc2c(C3CCCCC3)c[nH]c2c1.Brc1ccc2cc[nH]c2c1.CC(C)[Si](C(C)C)(C(C)C)n1cc(C2CCCCC2)c2ccc(Br)cc21.O=C1CCCCC1
• InChI: InChI=1S/C23H36BrNSi.C14H16BrN.C14H14BrN.C8H6BrN.C6H10O/c1-16(2)26(17(3)4,18(5)6)25-15-22(19-10-8-7-9-11-19)21-13-12-20(24)14-23(21)25;2*15-11-6-7-12-13(9-16-14(12)8-11)10-4-2-1-3-5-10;9-7-2-1-6-3-4-10-8(6)5-7;7-6-4-2-1-3-5-6/h12-19H,7-11H2,1-6H3;6-10,16H,1-5H2;4,6-9,16H,1-3,5H2;1-5,10H;1-5H2
• InChIKey: ZMJFQXFPSXPTNB-UHFFFAOYSA-N
• XLogP: 22.79
• TPSA: 69.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1283.10
LogP ≤ 5	22.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(cyclohexen-1-yl)-1H-indole;6-bromo-3-cyclohexyl-1H-indole;(6-bromo-3-cyclohexylindol-1-yl)-tri(propan-2-yl)silane;6-bromo-1H-indole;cyclohexanone?

The IUPAC name of 6-bromo-3-(cyclohexen-1-yl)-1H-indole;6-bromo-3-cyclohexyl-1H-indole;(6-bromo-3-cyclohexylindol-1-yl)-tri(propan-2-yl)silane;6-bromo-1H-indole;cyclohexanone (CID 162160169) is 6-bromo-3-(cyclohexen-1-yl)-1H-indole;6-bromo-3-cyclohexyl-1H-indole;(6-bromo-3-cyclohexylindol-1-yl)-tri(propan-2-yl)silane;6-bromo-1H-indole;cyclohexanone.

What is the SMILES notation for 6-bromo-3-(cyclohexen-1-yl)-1H-indole;6-bromo-3-cyclohexyl-1H-indole;(6-bromo-3-cyclohexylindol-1-yl)-tri(propan-2-yl)silane;6-bromo-1H-indole;cyclohexanone?

The canonical SMILES for 6-bromo-3-(cyclohexen-1-yl)-1H-indole;6-bromo-3-cyclohexyl-1H-indole;(6-bromo-3-cyclohexylindol-1-yl)-tri(propan-2-yl)silane;6-bromo-1H-indole;cyclohexanone is Brc1ccc2c(C3=CCCCC3)c[nH]c2c1.Brc1ccc2c(C3CCCCC3)c[nH]c2c1.Brc1ccc2cc[nH]c2c1.CC(C)[Si](C(C)C)(C(C)C)n1cc(C2CCCCC2)c2ccc(Br)cc21.O=C1CCCCC1.

What is the InChIKey of 6-bromo-3-(cyclohexen-1-yl)-1H-indole;6-bromo-3-cyclohexyl-1H-indole;(6-bromo-3-cyclohexylindol-1-yl)-tri(propan-2-yl)silane;6-bromo-1H-indole;cyclohexanone?

The InChIKey is ZMJFQXFPSXPTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36BrNSi.C14H16BrN.C14H14BrN.C8H6BrN.C6H10O/c1-16(2)26(17(3)4,18(5)6)25-15-22(19-10-8-7-9-11-19)21-13-12-20(24)14-23(21)25;2*15-11-6-7-12-13(9-16-14(12)8-11)10-4-2-1-3-5-10;9-7-2-1-6-3-4-10-8(6)5-7;7-6-4-2-1-3-5-6/h12-19H,7-11H2,1-6H3;6-10,16H,1-5H2;4,6-9,16H,1-3,5H2;1-5,10H;1-5H2.

What are the key properties of 6-bromo-3-(cyclohexen-1-yl)-1H-indole;6-bromo-3-cyclohexyl-1H-indole;(6-bromo-3-cyclohexylindol-1-yl)-tri(propan-2-yl)silane;6-bromo-1H-indole;cyclohexanone?

6-bromo-3-(cyclohexen-1-yl)-1H-indole;6-bromo-3-cyclohexyl-1H-indole;(6-bromo-3-cyclohexylindol-1-yl)-tri(propan-2-yl)silane;6-bromo-1H-indole;cyclohexanone has a molecular weight of 1283.10 g/mol, XLogP of 22.79, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-3-(cyclohexen-1-yl)-1H-indole;6-bromo-3-cyclohexyl-1H-indole;(6-bromo-3-cyclohexylindol-1-yl)-tri(propan-2-yl)silane;6-bromo-1H-indole;cyclohexanone is sourced from PubChem (CID 162160169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).