4,5-bis(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;4-[1-[3-(dimethylamino)propyl]indol-3-yl]-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;4-(1H-indol-3-yl)-5-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]indol-3-yl]cyclopent-4-ene-1,3-dione;methane

C76H70N8O6 — CID 162271977

About 4,5-bis(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;4-[1-[3-(dimethylamino)propyl]indol-3-yl]-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;4-(1H-indol-3-yl)-5-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]indol-3-yl]cyclopent-4-ene-1,3-dione;methane

4,5-bis(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;4-[1-[3-(dimethylamino)propyl]indol-3-yl]-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;4-(1H-indol-3-yl)-5-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]indol-3-yl]cyclopent-4-ene-1,3-dione;methane (PubChem CID 162271977) has the molecular formula C76H70N8O6 and a molecular weight of 1191.45 g/mol. Its IUPAC name is 4,5-bis(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;4-[1-[3-(dimethylamino)propyl]indol-3-yl]-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;4-(1H-indol-3-yl)-5-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]indol-3-yl]cyclopent-4-ene-1,3-dione;methane.

Molecular Properties

• Compound Name: 4,5-bis(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;4-[1-[3-(dimethylamino)propyl]indol-3-yl]-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;4-(1H-indol-3-yl)-5-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]indol-3-yl]cyclopent-4-ene-1,3-dione;methane
• PubChem CID: 162271977
• Molecular Formula: C76H70N8O6
• Molecular Weight: 1191.45 g/mol
• Exact Mass: 1190.54
• IUPAC Name: 4,5-bis(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;4-[1-[3-(dimethylamino)propyl]indol-3-yl]-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;4-(1H-indol-3-yl)-5-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]indol-3-yl]cyclopent-4-ene-1,3-dione;methane
• SMILES: C.CN(C)CCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)CC2=O)c2ccccc21.CN1CCCC1CCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)CC2=O)c2ccccc21.O=C1CC(=O)C(c2c[nH]c3ccccc23)=C1c1c[nH]c2ccccc12
• InChI: InChI=1S/C28H27N3O2.C26H25N3O2.C21H14N2O2.CH4/c1-30-13-6-7-18(30)12-14-31-17-22(20-9-3-5-11-24(20)31)28-26(33)15-25(32)27(28)21-16-29-23-10-4-2-8-19(21)23;1-28(2)12-7-13-29-16-20(18-9-4-6-11-22(18)29)26-24(31)14-23(30)25(26)19-15-27-21-10-5-3-8-17(19)21;24-18-9-19(25)21(15-11-23-17-8-4-2-6-13(15)17)20(18)14-10-22-16-7-3-1-5-12(14)16;/h2-5,8-11,16-18,29H,6-7,12-15H2,1H3;3-6,8-11,15-16,27H,7,12-14H2,1-2H3;1-8,10-11,22-23H,9H2;1H4
• InChIKey: YQALCNOXFSESIT-UHFFFAOYSA-N
• XLogP: 14.32
• TPSA: 181.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1191.45
LogP ≤ 5	14.32
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;4-[1-[3-(dimethylamino)propyl]indol-3-yl]-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;4-(1H-indol-3-yl)-5-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]indol-3-yl]cyclopent-4-ene-1,3-dione;methane?

The IUPAC name of 4,5-bis(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;4-[1-[3-(dimethylamino)propyl]indol-3-yl]-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;4-(1H-indol-3-yl)-5-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]indol-3-yl]cyclopent-4-ene-1,3-dione;methane (CID 162271977) is 4,5-bis(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;4-[1-[3-(dimethylamino)propyl]indol-3-yl]-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;4-(1H-indol-3-yl)-5-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]indol-3-yl]cyclopent-4-ene-1,3-dione;methane.

What is the SMILES notation for 4,5-bis(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;4-[1-[3-(dimethylamino)propyl]indol-3-yl]-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;4-(1H-indol-3-yl)-5-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]indol-3-yl]cyclopent-4-ene-1,3-dione;methane?

The canonical SMILES for 4,5-bis(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;4-[1-[3-(dimethylamino)propyl]indol-3-yl]-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;4-(1H-indol-3-yl)-5-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]indol-3-yl]cyclopent-4-ene-1,3-dione;methane is C.CN(C)CCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)CC2=O)c2ccccc21.CN1CCCC1CCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)CC2=O)c2ccccc21.O=C1CC(=O)C(c2c[nH]c3ccccc23)=C1c1c[nH]c2ccccc12.

What is the InChIKey of 4,5-bis(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;4-[1-[3-(dimethylamino)propyl]indol-3-yl]-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;4-(1H-indol-3-yl)-5-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]indol-3-yl]cyclopent-4-ene-1,3-dione;methane?

The InChIKey is YQALCNOXFSESIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O2.C26H25N3O2.C21H14N2O2.CH4/c1-30-13-6-7-18(30)12-14-31-17-22(20-9-3-5-11-24(20)31)28-26(33)15-25(32)27(28)21-16-29-23-10-4-2-8-19(21)23;1-28(2)12-7-13-29-16-20(18-9-4-6-11-22(18)29)26-24(31)14-23(30)25(26)19-15-27-21-10-5-3-8-17(19)21;24-18-9-19(25)21(15-11-23-17-8-4-2-6-13(15)17)20(18)14-10-22-16-7-3-1-5-12(14)16;/h2-5,8-11,16-18,29H,6-7,12-15H2,1H3;3-6,8-11,15-16,27H,7,12-14H2,1-2H3;1-8,10-11,22-23H,9H2;1H4.

What are the key properties of 4,5-bis(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;4-[1-[3-(dimethylamino)propyl]indol-3-yl]-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;4-(1H-indol-3-yl)-5-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]indol-3-yl]cyclopent-4-ene-1,3-dione;methane?

4,5-bis(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;4-[1-[3-(dimethylamino)propyl]indol-3-yl]-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;4-(1H-indol-3-yl)-5-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]indol-3-yl]cyclopent-4-ene-1,3-dione;methane has a molecular weight of 1191.45 g/mol, XLogP of 14.32, 13 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5-bis(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;4-[1-[3-(dimethylamino)propyl]indol-3-yl]-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;4-(1H-indol-3-yl)-5-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]indol-3-yl]cyclopent-4-ene-1,3-dione;methane is sourced from PubChem (CID 162271977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).