4-bromo-1H-indole;4-(2,3-dihydro-1H-indol-4-yl)-2,3-dihydro-1H-indole;4-[4-[1-(4-formyl-3-methoxybenzoyl)-2,3-dihydroindol-4-yl]-2,3-dihydroindole-1-carbonyl]-2-methoxybenzaldehyde;4-(1H-indol-4-yl)-1H-indole

C74H62BrN7O6 — CID 159310315

About 4-bromo-1H-indole;4-(2,3-dihydro-1H-indol-4-yl)-2,3-dihydro-1H-indole;4-[4-[1-(4-formyl-3-methoxybenzoyl)-2,3-dihydroindol-4-yl]-2,3-dihydroindole-1-carbonyl]-2-methoxybenzaldehyde;4-(1H-indol-4-yl)-1H-indole

4-bromo-1H-indole;4-(2,3-dihydro-1H-indol-4-yl)-2,3-dihydro-1H-indole;4-[4-[1-(4-formyl-3-methoxybenzoyl)-2,3-dihydroindol-4-yl]-2,3-dihydroindole-1-carbonyl]-2-methoxybenzaldehyde;4-(1H-indol-4-yl)-1H-indole (PubChem CID 159310315) has the molecular formula C74H62BrN7O6 and a molecular weight of 1225.26 g/mol. Its IUPAC name is 4-bromo-1H-indole;4-(2,3-dihydro-1H-indol-4-yl)-2,3-dihydro-1H-indole;4-[4-[1-(4-formyl-3-methoxybenzoyl)-2,3-dihydroindol-4-yl]-2,3-dihydroindole-1-carbonyl]-2-methoxybenzaldehyde;4-(1H-indol-4-yl)-1H-indole.

Molecular Properties

• Compound Name: 4-bromo-1H-indole;4-(2,3-dihydro-1H-indol-4-yl)-2,3-dihydro-1H-indole;4-[4-[1-(4-formyl-3-methoxybenzoyl)-2,3-dihydroindol-4-yl]-2,3-dihydroindole-1-carbonyl]-2-methoxybenzaldehyde;4-(1H-indol-4-yl)-1H-indole
• PubChem CID: 159310315
• Molecular Formula: C74H62BrN7O6
• Molecular Weight: 1225.26 g/mol
• Exact Mass: 1223.39
• IUPAC Name: 4-bromo-1H-indole;4-(2,3-dihydro-1H-indol-4-yl)-2,3-dihydro-1H-indole;4-[4-[1-(4-formyl-3-methoxybenzoyl)-2,3-dihydroindol-4-yl]-2,3-dihydroindole-1-carbonyl]-2-methoxybenzaldehyde;4-(1H-indol-4-yl)-1H-indole
• SMILES: Brc1cccc2[nH]ccc12.COc1cc(C(=O)N2CCc3c(-c4cccc5c4CCN5C(=O)c4ccc(C=O)c(OC)c4)cccc32)ccc1C=O.c1cc(-c2cccc3[nH]ccc23)c2cc[nH]c2c1.c1cc2c(c(-c3cccc4c3CCN4)c1)CCN2
• InChI: InChI=1S/C34H28N2O6.C16H16N2.C16H12N2.C8H6BrN/c1-41-31-17-21(9-11-23(31)19-37)33(39)35-15-13-27-25(5-3-7-29(27)35)26-6-4-8-30-28(26)14-16-36(30)34(40)22-10-12-24(20-38)32(18-22)42-2;2*1-3-11(13-7-9-17-15(13)5-1)12-4-2-6-16-14(12)8-10-18-16;9-7-2-1-3-8-6(7)4-5-10-8/h3-12,17-20H,13-16H2,1-2H3;1-6,17-18H,7-10H2;1-10,17-18H;1-5,10H
• InChIKey: LCLJRNIOHKZGKH-UHFFFAOYSA-N
• XLogP: 15.94
• TPSA: 164.65 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1225.26
LogP ≤ 5	15.94
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1H-indole;4-(2,3-dihydro-1H-indol-4-yl)-2,3-dihydro-1H-indole;4-[4-[1-(4-formyl-3-methoxybenzoyl)-2,3-dihydroindol-4-yl]-2,3-dihydroindole-1-carbonyl]-2-methoxybenzaldehyde;4-(1H-indol-4-yl)-1H-indole?

The IUPAC name of 4-bromo-1H-indole;4-(2,3-dihydro-1H-indol-4-yl)-2,3-dihydro-1H-indole;4-[4-[1-(4-formyl-3-methoxybenzoyl)-2,3-dihydroindol-4-yl]-2,3-dihydroindole-1-carbonyl]-2-methoxybenzaldehyde;4-(1H-indol-4-yl)-1H-indole (CID 159310315) is 4-bromo-1H-indole;4-(2,3-dihydro-1H-indol-4-yl)-2,3-dihydro-1H-indole;4-[4-[1-(4-formyl-3-methoxybenzoyl)-2,3-dihydroindol-4-yl]-2,3-dihydroindole-1-carbonyl]-2-methoxybenzaldehyde;4-(1H-indol-4-yl)-1H-indole.

What is the SMILES notation for 4-bromo-1H-indole;4-(2,3-dihydro-1H-indol-4-yl)-2,3-dihydro-1H-indole;4-[4-[1-(4-formyl-3-methoxybenzoyl)-2,3-dihydroindol-4-yl]-2,3-dihydroindole-1-carbonyl]-2-methoxybenzaldehyde;4-(1H-indol-4-yl)-1H-indole?

The canonical SMILES for 4-bromo-1H-indole;4-(2,3-dihydro-1H-indol-4-yl)-2,3-dihydro-1H-indole;4-[4-[1-(4-formyl-3-methoxybenzoyl)-2,3-dihydroindol-4-yl]-2,3-dihydroindole-1-carbonyl]-2-methoxybenzaldehyde;4-(1H-indol-4-yl)-1H-indole is Brc1cccc2[nH]ccc12.COc1cc(C(=O)N2CCc3c(-c4cccc5c4CCN5C(=O)c4ccc(C=O)c(OC)c4)cccc32)ccc1C=O.c1cc(-c2cccc3[nH]ccc23)c2cc[nH]c2c1.c1cc2c(c(-c3cccc4c3CCN4)c1)CCN2.

What is the InChIKey of 4-bromo-1H-indole;4-(2,3-dihydro-1H-indol-4-yl)-2,3-dihydro-1H-indole;4-[4-[1-(4-formyl-3-methoxybenzoyl)-2,3-dihydroindol-4-yl]-2,3-dihydroindole-1-carbonyl]-2-methoxybenzaldehyde;4-(1H-indol-4-yl)-1H-indole?

The InChIKey is LCLJRNIOHKZGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N2O6.C16H16N2.C16H12N2.C8H6BrN/c1-41-31-17-21(9-11-23(31)19-37)33(39)35-15-13-27-25(5-3-7-29(27)35)26-6-4-8-30-28(26)14-16-36(30)34(40)22-10-12-24(20-38)32(18-22)42-2;2*1-3-11(13-7-9-17-15(13)5-1)12-4-2-6-16-14(12)8-10-18-16;9-7-2-1-3-8-6(7)4-5-10-8/h3-12,17-20H,13-16H2,1-2H3;1-6,17-18H,7-10H2;1-10,17-18H;1-5,10H.

What are the key properties of 4-bromo-1H-indole;4-(2,3-dihydro-1H-indol-4-yl)-2,3-dihydro-1H-indole;4-[4-[1-(4-formyl-3-methoxybenzoyl)-2,3-dihydroindol-4-yl]-2,3-dihydroindole-1-carbonyl]-2-methoxybenzaldehyde;4-(1H-indol-4-yl)-1H-indole?

4-bromo-1H-indole;4-(2,3-dihydro-1H-indol-4-yl)-2,3-dihydro-1H-indole;4-[4-[1-(4-formyl-3-methoxybenzoyl)-2,3-dihydroindol-4-yl]-2,3-dihydroindole-1-carbonyl]-2-methoxybenzaldehyde;4-(1H-indol-4-yl)-1H-indole has a molecular weight of 1225.26 g/mol, XLogP of 15.94, 9 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-1H-indole;4-(2,3-dihydro-1H-indol-4-yl)-2,3-dihydro-1H-indole;4-[4-[1-(4-formyl-3-methoxybenzoyl)-2,3-dihydroindol-4-yl]-2,3-dihydroindole-1-carbonyl]-2-methoxybenzaldehyde;4-(1H-indol-4-yl)-1H-indole is sourced from PubChem (CID 159310315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).