N-[bis(dimethylamino)-[(1S,2S)-1,2-diphenyl-2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]ethyl]imino-λ5-phosphanyl]-N-methylmethanamine

C26H48N8P2 — CID 101458764

About N-[bis(dimethylamino)-[(1S,2S)-1,2-diphenyl-2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]ethyl]imino-λ5-phosphanyl]-N-methylmethanamine

N-[bis(dimethylamino)-[(1S,2S)-1,2-diphenyl-2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]ethyl]imino-λ5-phosphanyl]-N-methylmethanamine (PubChem CID 101458764) has the molecular formula C26H48N8P2 and a molecular weight of 534.67 g/mol. Its IUPAC name is N-[bis(dimethylamino)-[(1S,2S)-1,2-diphenyl-2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]ethyl]imino-λ5-phosphanyl]-N-methylmethanamine.

Molecular Properties

• Compound Name: N-[bis(dimethylamino)-[(1S,2S)-1,2-diphenyl-2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]ethyl]imino-λ5-phosphanyl]-N-methylmethanamine
• PubChem CID: 101458764
• Molecular Formula: C26H48N8P2
• Molecular Weight: 534.67 g/mol
• Exact Mass: 534.35
• IUPAC Name: N-[bis(dimethylamino)-[(1S,2S)-1,2-diphenyl-2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]ethyl]imino-λ5-phosphanyl]-N-methylmethanamine
• SMILES: CN(C)P(=N[C@@H](c1ccccc1)[C@@H](N=P(N(C)C)(N(C)C)N(C)C)c1ccccc1)(N(C)C)N(C)C
• InChI: InChI=1S/C26H48N8P2/c1-29(2)35(30(3)4,31(5)6)27-25(23-19-15-13-16-20-23)26(24-21-17-14-18-22-24)28-36(32(7)8,33(9)10)34(11)12/h13-22,25-26H,1-12H3/t25-,26-/m0/s1
• InChIKey: QUIJUMDXGVULSN-UIOOFZCWSA-N
• XLogP: 5.73
• TPSA: 44.16 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.67
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[bis(dimethylamino)-[(1S,2S)-1,2-diphenyl-2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]ethyl]imino-λ5-phosphanyl]-N-methylmethanamine?

The IUPAC name of N-[bis(dimethylamino)-[(1S,2S)-1,2-diphenyl-2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]ethyl]imino-λ5-phosphanyl]-N-methylmethanamine (CID 101458764) is N-[bis(dimethylamino)-[(1S,2S)-1,2-diphenyl-2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]ethyl]imino-λ5-phosphanyl]-N-methylmethanamine.

What is the SMILES notation for N-[bis(dimethylamino)-[(1S,2S)-1,2-diphenyl-2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]ethyl]imino-λ5-phosphanyl]-N-methylmethanamine?

The canonical SMILES for N-[bis(dimethylamino)-[(1S,2S)-1,2-diphenyl-2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]ethyl]imino-λ5-phosphanyl]-N-methylmethanamine is CN(C)P(=N[C@@H](c1ccccc1)[C@@H](N=P(N(C)C)(N(C)C)N(C)C)c1ccccc1)(N(C)C)N(C)C.

What is the InChIKey of N-[bis(dimethylamino)-[(1S,2S)-1,2-diphenyl-2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]ethyl]imino-λ5-phosphanyl]-N-methylmethanamine?

The InChIKey is QUIJUMDXGVULSN-UIOOFZCWSA-N. The full InChI is InChI=1S/C26H48N8P2/c1-29(2)35(30(3)4,31(5)6)27-25(23-19-15-13-16-20-23)26(24-21-17-14-18-22-24)28-36(32(7)8,33(9)10)34(11)12/h13-22,25-26H,1-12H3/t25-,26-/m0/s1.

What are the key properties of N-[bis(dimethylamino)-[(1S,2S)-1,2-diphenyl-2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]ethyl]imino-λ5-phosphanyl]-N-methylmethanamine?

N-[bis(dimethylamino)-[(1S,2S)-1,2-diphenyl-2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]ethyl]imino-λ5-phosphanyl]-N-methylmethanamine has a molecular weight of 534.67 g/mol, XLogP of 5.73, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[bis(dimethylamino)-[(1S,2S)-1,2-diphenyl-2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]ethyl]imino-λ5-phosphanyl]-N-methylmethanamine is sourced from PubChem (CID 101458764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).