carbanide;3-(3,3-dimethyl-2H-indol-1-id-6-yl)-1-(1H-indol-3-yl)propane-1,2-dione;ethane;propane;tungsten(2+)

C27H36N2O2W — CID 158361121

About carbanide;3-(3,3-dimethyl-2H-indol-1-id-6-yl)-1-(1H-indol-3-yl)propane-1,2-dione;ethane;propane;tungsten(2+)

carbanide;3-(3,3-dimethyl-2H-indol-1-id-6-yl)-1-(1H-indol-3-yl)propane-1,2-dione;ethane;propane;tungsten(2+) (PubChem CID 158361121) has the molecular formula C27H36N2O2W and a molecular weight of 604.44 g/mol. Its IUPAC name is carbanide;3-(3,3-dimethyl-2H-indol-1-id-6-yl)-1-(1H-indol-3-yl)propane-1,2-dione;ethane;propane;tungsten(2+).

Molecular Properties

• Compound Name: carbanide;3-(3,3-dimethyl-2H-indol-1-id-6-yl)-1-(1H-indol-3-yl)propane-1,2-dione;ethane;propane;tungsten(2+)
• PubChem CID: 158361121
• Molecular Formula: C27H36N2O2W
• Molecular Weight: 604.44 g/mol
• Exact Mass: 604.23
• IUPAC Name: carbanide;3-(3,3-dimethyl-2H-indol-1-id-6-yl)-1-(1H-indol-3-yl)propane-1,2-dione;ethane;propane;tungsten(2+)
• SMILES: CC.CC1(C)C[N-]c2cc(CC(=O)C(=O)c3c[nH]c4ccccc34)ccc21.CCC.[CH3-].[W+2]
• InChI: InChI=1S/C21H19N2O2.C3H8.C2H6.CH3.W/c1-21(2)12-23-18-9-13(7-8-16(18)21)10-19(24)20(25)15-11-22-17-6-4-3-5-14(15)17;1-3-2;1-2;;/h3-9,11H,10,12H2,1-2H3,(H,22,25);3H2,1-2H3;1-2H3;1H3;/q-1;;;-1;+2
• InChIKey: GTMDRRMLGOGHCF-UHFFFAOYSA-N
• XLogP: 7.35
• TPSA: 64.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	604.44
LogP ≤ 5	7.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbanide;3-(3,3-dimethyl-2H-indol-1-id-6-yl)-1-(1H-indol-3-yl)propane-1,2-dione;ethane;propane;tungsten(2+)?

The IUPAC name of carbanide;3-(3,3-dimethyl-2H-indol-1-id-6-yl)-1-(1H-indol-3-yl)propane-1,2-dione;ethane;propane;tungsten(2+) (CID 158361121) is carbanide;3-(3,3-dimethyl-2H-indol-1-id-6-yl)-1-(1H-indol-3-yl)propane-1,2-dione;ethane;propane;tungsten(2+).

What is the SMILES notation for carbanide;3-(3,3-dimethyl-2H-indol-1-id-6-yl)-1-(1H-indol-3-yl)propane-1,2-dione;ethane;propane;tungsten(2+)?

The canonical SMILES for carbanide;3-(3,3-dimethyl-2H-indol-1-id-6-yl)-1-(1H-indol-3-yl)propane-1,2-dione;ethane;propane;tungsten(2+) is CC.CC1(C)C[N-]c2cc(CC(=O)C(=O)c3c[nH]c4ccccc34)ccc21.CCC.[CH3-].[W+2].

What is the InChIKey of carbanide;3-(3,3-dimethyl-2H-indol-1-id-6-yl)-1-(1H-indol-3-yl)propane-1,2-dione;ethane;propane;tungsten(2+)?

The InChIKey is GTMDRRMLGOGHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N2O2.C3H8.C2H6.CH3.W/c1-21(2)12-23-18-9-13(7-8-16(18)21)10-19(24)20(25)15-11-22-17-6-4-3-5-14(15)17;1-3-2;1-2;;/h3-9,11H,10,12H2,1-2H3,(H,22,25);3H2,1-2H3;1-2H3;1H3;/q-1;;;-1;+2.

What are the key properties of carbanide;3-(3,3-dimethyl-2H-indol-1-id-6-yl)-1-(1H-indol-3-yl)propane-1,2-dione;ethane;propane;tungsten(2+)?

carbanide;3-(3,3-dimethyl-2H-indol-1-id-6-yl)-1-(1H-indol-3-yl)propane-1,2-dione;ethane;propane;tungsten(2+) has a molecular weight of 604.44 g/mol, XLogP of 7.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;3-(3,3-dimethyl-2H-indol-1-id-6-yl)-1-(1H-indol-3-yl)propane-1,2-dione;ethane;propane;tungsten(2+) is sourced from PubChem (CID 158361121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).