[[N-(2-tert-butyl-6-methylphenyl)-C-(4-tert-butylphenyl)carbonimidoyl]amino]-di(propan-2-yl)phosphanium;2,3,4,5-tetrahydrofuran-5-ide;trichlorochromium(1+)

C32H51Cl3CrN2OP+ — CID 140722990

About [[N-(2-tert-butyl-6-methylphenyl)-C-(4-tert-butylphenyl)carbonimidoyl]amino]-di(propan-2-yl)phosphanium;2,3,4,5-tetrahydrofuran-5-ide;trichlorochromium(1+)

[[N-(2-tert-butyl-6-methylphenyl)-C-(4-tert-butylphenyl)carbonimidoyl]amino]-di(propan-2-yl)phosphanium;2,3,4,5-tetrahydrofuran-5-ide;trichlorochromium(1+) (PubChem CID 140722990) has the molecular formula C32H51Cl3CrN2OP+ and a molecular weight of 669.10 g/mol. Its IUPAC name is [[N-(2-tert-butyl-6-methylphenyl)-C-(4-tert-butylphenyl)carbonimidoyl]amino]-di(propan-2-yl)phosphanium;2,3,4,5-tetrahydrofuran-5-ide;trichlorochromium(1+).

Molecular Properties

• Compound Name: [[N-(2-tert-butyl-6-methylphenyl)-C-(4-tert-butylphenyl)carbonimidoyl]amino]-di(propan-2-yl)phosphanium;2,3,4,5-tetrahydrofuran-5-ide;trichlorochromium(1+)
• PubChem CID: 140722990
• Molecular Formula: C32H51Cl3CrN2OP+
• Molecular Weight: 669.10 g/mol
• Exact Mass: 667.22
• IUPAC Name: [[N-(2-tert-butyl-6-methylphenyl)-C-(4-tert-butylphenyl)carbonimidoyl]amino]-di(propan-2-yl)phosphanium;2,3,4,5-tetrahydrofuran-5-ide;trichlorochromium(1+)
• SMILES: Cc1cccc(C(C)(C)C)c1/N=C(/N[PH+](C(C)C)C(C)C)c1ccc(C(C)(C)C)cc1.Cl[Cr+](Cl)Cl.[CH-]1CCCO1
• InChI: InChI=1S/C28H43N2P.C4H7O.3ClH.Cr/c1-19(2)31(20(3)4)30-26(22-15-17-23(18-16-22)27(6,7)8)29-25-21(5)13-12-14-24(25)28(9,10)11;1-2-4-5-3-1;;;;/h12-20H,1-11H3,(H,29,30);3H,1-2,4H2;3*1H;/q;-1;;;;+4/p-2
• InChIKey: WXHCYWIHVQBEJM-UHFFFAOYSA-L
• XLogP: 11.23
• TPSA: 33.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	669.10
LogP ≤ 5	11.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [[N-(2-tert-butyl-6-methylphenyl)-C-(4-tert-butylphenyl)carbonimidoyl]amino]-di(propan-2-yl)phosphanium;2,3,4,5-tetrahydrofuran-5-ide;trichlorochromium(1+)?

The IUPAC name of [[N-(2-tert-butyl-6-methylphenyl)-C-(4-tert-butylphenyl)carbonimidoyl]amino]-di(propan-2-yl)phosphanium;2,3,4,5-tetrahydrofuran-5-ide;trichlorochromium(1+) (CID 140722990) is [[N-(2-tert-butyl-6-methylphenyl)-C-(4-tert-butylphenyl)carbonimidoyl]amino]-di(propan-2-yl)phosphanium;2,3,4,5-tetrahydrofuran-5-ide;trichlorochromium(1+).

What is the SMILES notation for [[N-(2-tert-butyl-6-methylphenyl)-C-(4-tert-butylphenyl)carbonimidoyl]amino]-di(propan-2-yl)phosphanium;2,3,4,5-tetrahydrofuran-5-ide;trichlorochromium(1+)?

The canonical SMILES for [[N-(2-tert-butyl-6-methylphenyl)-C-(4-tert-butylphenyl)carbonimidoyl]amino]-di(propan-2-yl)phosphanium;2,3,4,5-tetrahydrofuran-5-ide;trichlorochromium(1+) is Cc1cccc(C(C)(C)C)c1/N=C(/N[PH+](C(C)C)C(C)C)c1ccc(C(C)(C)C)cc1.Cl[Cr+](Cl)Cl.[CH-]1CCCO1.

What is the InChIKey of [[N-(2-tert-butyl-6-methylphenyl)-C-(4-tert-butylphenyl)carbonimidoyl]amino]-di(propan-2-yl)phosphanium;2,3,4,5-tetrahydrofuran-5-ide;trichlorochromium(1+)?

The InChIKey is WXHCYWIHVQBEJM-UHFFFAOYSA-L. The full InChI is InChI=1S/C28H43N2P.C4H7O.3ClH.Cr/c1-19(2)31(20(3)4)30-26(22-15-17-23(18-16-22)27(6,7)8)29-25-21(5)13-12-14-24(25)28(9,10)11;1-2-4-5-3-1;;;;/h12-20H,1-11H3,(H,29,30);3H,1-2,4H2;3*1H;/q;-1;;;;+4/p-2.

What are the key properties of [[N-(2-tert-butyl-6-methylphenyl)-C-(4-tert-butylphenyl)carbonimidoyl]amino]-di(propan-2-yl)phosphanium;2,3,4,5-tetrahydrofuran-5-ide;trichlorochromium(1+)?

[[N-(2-tert-butyl-6-methylphenyl)-C-(4-tert-butylphenyl)carbonimidoyl]amino]-di(propan-2-yl)phosphanium;2,3,4,5-tetrahydrofuran-5-ide;trichlorochromium(1+) has a molecular weight of 669.10 g/mol, XLogP of 11.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [[N-(2-tert-butyl-6-methylphenyl)-C-(4-tert-butylphenyl)carbonimidoyl]amino]-di(propan-2-yl)phosphanium;2,3,4,5-tetrahydrofuran-5-ide;trichlorochromium(1+) is sourced from PubChem (CID 140722990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).