carbanide;[2,6-di(propan-2-yl)phenyl]imino-diphenyl-(4,4,6,6-tetramethyl-1,2,3,3a,5,6a-hexahydropentalen-2-yl)-λ5-phosphane;tris(methanidyl(trimethyl)silane);zirconium(4+)

C49H84NPSi3Zr — CID 58140367

About carbanide;[2,6-di(propan-2-yl)phenyl]imino-diphenyl-(4,4,6,6-tetramethyl-1,2,3,3a,5,6a-hexahydropentalen-2-yl)-λ5-phosphane;tris(methanidyl(trimethyl)silane);zirconium(4+)

carbanide;[2,6-di(propan-2-yl)phenyl]imino-diphenyl-(4,4,6,6-tetramethyl-1,2,3,3a,5,6a-hexahydropentalen-2-yl)-λ5-phosphane;tris(methanidyl(trimethyl)silane);zirconium(4+) (PubChem CID 58140367) has the molecular formula C49H84NPSi3Zr and a molecular weight of 893.67 g/mol. Its IUPAC name is carbanide;[2,6-di(propan-2-yl)phenyl]imino-diphenyl-(4,4,6,6-tetramethyl-1,2,3,3a,5,6a-hexahydropentalen-2-yl)-λ5-phosphane;tris(methanidyl(trimethyl)silane);zirconium(4+).

Molecular Properties

• Compound Name: carbanide;[2,6-di(propan-2-yl)phenyl]imino-diphenyl-(4,4,6,6-tetramethyl-1,2,3,3a,5,6a-hexahydropentalen-2-yl)-λ5-phosphane;tris(methanidyl(trimethyl)silane);zirconium(4+)
• PubChem CID: 58140367
• Molecular Formula: C49H84NPSi3Zr
• Molecular Weight: 893.67 g/mol
• Exact Mass: 891.47
• IUPAC Name: carbanide;[2,6-di(propan-2-yl)phenyl]imino-diphenyl-(4,4,6,6-tetramethyl-1,2,3,3a,5,6a-hexahydropentalen-2-yl)-λ5-phosphane;tris(methanidyl(trimethyl)silane);zirconium(4+)
• SMILES: CC(C)c1cccc(C(C)C)c1N=P(c1ccccc1)(c1ccccc1)C1CC2C(C1)C(C)(C)CC2(C)C.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[CH3-].[Zr+4]
• InChI: InChI=1S/C36H48NP.3C4H11Si.CH3.Zr/c1-25(2)30-20-15-21-31(26(3)4)34(30)37-38(27-16-11-9-12-17-27,28-18-13-10-14-19-28)29-22-32-33(23-29)36(7,8)24-35(32,5)6;3*1-5(2,3)4;;/h9-21,25-26,29,32-33H,22-24H2,1-8H3;3*1H2,2-4H3;1H3;/q;4*-1;+4
• InChIKey: NBJPNYOVBSWGSV-UHFFFAOYSA-N
• XLogP: 15.81
• TPSA: 12.36 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	893.67
LogP ≤ 5	15.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbanide;[2,6-di(propan-2-yl)phenyl]imino-diphenyl-(4,4,6,6-tetramethyl-1,2,3,3a,5,6a-hexahydropentalen-2-yl)-λ5-phosphane;tris(methanidyl(trimethyl)silane);zirconium(4+)?

The IUPAC name of carbanide;[2,6-di(propan-2-yl)phenyl]imino-diphenyl-(4,4,6,6-tetramethyl-1,2,3,3a,5,6a-hexahydropentalen-2-yl)-λ5-phosphane;tris(methanidyl(trimethyl)silane);zirconium(4+) (CID 58140367) is carbanide;[2,6-di(propan-2-yl)phenyl]imino-diphenyl-(4,4,6,6-tetramethyl-1,2,3,3a,5,6a-hexahydropentalen-2-yl)-λ5-phosphane;tris(methanidyl(trimethyl)silane);zirconium(4+).

What is the SMILES notation for carbanide;[2,6-di(propan-2-yl)phenyl]imino-diphenyl-(4,4,6,6-tetramethyl-1,2,3,3a,5,6a-hexahydropentalen-2-yl)-λ5-phosphane;tris(methanidyl(trimethyl)silane);zirconium(4+)?

The canonical SMILES for carbanide;[2,6-di(propan-2-yl)phenyl]imino-diphenyl-(4,4,6,6-tetramethyl-1,2,3,3a,5,6a-hexahydropentalen-2-yl)-λ5-phosphane;tris(methanidyl(trimethyl)silane);zirconium(4+) is CC(C)c1cccc(C(C)C)c1N=P(c1ccccc1)(c1ccccc1)C1CC2C(C1)C(C)(C)CC2(C)C.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[CH3-].[Zr+4].

What is the InChIKey of carbanide;[2,6-di(propan-2-yl)phenyl]imino-diphenyl-(4,4,6,6-tetramethyl-1,2,3,3a,5,6a-hexahydropentalen-2-yl)-λ5-phosphane;tris(methanidyl(trimethyl)silane);zirconium(4+)?

The InChIKey is NBJPNYOVBSWGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H48NP.3C4H11Si.CH3.Zr/c1-25(2)30-20-15-21-31(26(3)4)34(30)37-38(27-16-11-9-12-17-27,28-18-13-10-14-19-28)29-22-32-33(23-29)36(7,8)24-35(32,5)6;3*1-5(2,3)4;;/h9-21,25-26,29,32-33H,22-24H2,1-8H3;3*1H2,2-4H3;1H3;/q;4*-1;+4.

What are the key properties of carbanide;[2,6-di(propan-2-yl)phenyl]imino-diphenyl-(4,4,6,6-tetramethyl-1,2,3,3a,5,6a-hexahydropentalen-2-yl)-λ5-phosphane;tris(methanidyl(trimethyl)silane);zirconium(4+)?

carbanide;[2,6-di(propan-2-yl)phenyl]imino-diphenyl-(4,4,6,6-tetramethyl-1,2,3,3a,5,6a-hexahydropentalen-2-yl)-λ5-phosphane;tris(methanidyl(trimethyl)silane);zirconium(4+) has a molecular weight of 893.67 g/mol, XLogP of 15.81, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;[2,6-di(propan-2-yl)phenyl]imino-diphenyl-(4,4,6,6-tetramethyl-1,2,3,3a,5,6a-hexahydropentalen-2-yl)-λ5-phosphane;tris(methanidyl(trimethyl)silane);zirconium(4+) is sourced from PubChem (CID 58140367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).