carbanide;1-[2-(dimethylamino)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;holmium

C24H42HoNO- — CID 167482396

About carbanide;1-[2-(dimethylamino)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;holmium

carbanide;1-[2-(dimethylamino)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;holmium (PubChem CID 167482396) has the molecular formula C24H42HoNO- and a molecular weight of 525.54 g/mol. Its IUPAC name is carbanide;1-[2-(dimethylamino)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;holmium.

Molecular Properties

• Compound Name: carbanide;1-[2-(dimethylamino)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;holmium
• PubChem CID: 167482396
• Molecular Formula: C24H42HoNO-
• Molecular Weight: 525.54 g/mol
• Exact Mass: 525.26
• IUPAC Name: carbanide;1-[2-(dimethylamino)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;holmium
• SMILES: CC(=O)C1CCC2C3CCC4CCC(N(C)C)CC4(C)C3CCC12C.[CH3-].[Ho]
• InChI: InChI=1S/C23H39NO.CH3.Ho/c1-15(25)19-10-11-20-18-9-7-16-6-8-17(24(4)5)14-23(16,3)21(18)12-13-22(19,20)2;;/h16-21H,6-14H2,1-5H3;1H3;/q;-1
• InChIKey: VXHDKQCNHKZEBI-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 20.31 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.54
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbanide;1-[2-(dimethylamino)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;holmium?

The IUPAC name of carbanide;1-[2-(dimethylamino)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;holmium (CID 167482396) is carbanide;1-[2-(dimethylamino)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;holmium.

What is the SMILES notation for carbanide;1-[2-(dimethylamino)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;holmium?

The canonical SMILES for carbanide;1-[2-(dimethylamino)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;holmium is CC(=O)C1CCC2C3CCC4CCC(N(C)C)CC4(C)C3CCC12C.[CH3-].[Ho].

What is the InChIKey of carbanide;1-[2-(dimethylamino)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;holmium?

The InChIKey is VXHDKQCNHKZEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39NO.CH3.Ho/c1-15(25)19-10-11-20-18-9-7-16-6-8-17(24(4)5)14-23(16,3)21(18)12-13-22(19,20)2;;/h16-21H,6-14H2,1-5H3;1H3;/q;-1;.

What are the key properties of carbanide;1-[2-(dimethylamino)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;holmium?

carbanide;1-[2-(dimethylamino)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;holmium has a molecular weight of 525.54 g/mol, XLogP of 5.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;1-[2-(dimethylamino)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;holmium is sourced from PubChem (CID 167482396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).