1-[[[bis(2,4-dimethylphenoxy)phosphanylimino-bis(2,4-dimethylphenoxy)-λ5-phosphanyl]amino]-(2,4-dimethylphenoxy)phosphanyl]oxy-2,4-dimethylbenzene

C48H55N2O6P3 — CID 87842913

About 1-[[[bis(2,4-dimethylphenoxy)phosphanylimino-bis(2,4-dimethylphenoxy)-λ5-phosphanyl]amino]-(2,4-dimethylphenoxy)phosphanyl]oxy-2,4-dimethylbenzene

1-[[[bis(2,4-dimethylphenoxy)phosphanylimino-bis(2,4-dimethylphenoxy)-λ5-phosphanyl]amino]-(2,4-dimethylphenoxy)phosphanyl]oxy-2,4-dimethylbenzene (PubChem CID 87842913) has the molecular formula C48H55N2O6P3 and a molecular weight of 848.90 g/mol. Its IUPAC name is 1-[[[bis(2,4-dimethylphenoxy)phosphanylimino-bis(2,4-dimethylphenoxy)-λ5-phosphanyl]amino]-(2,4-dimethylphenoxy)phosphanyl]oxy-2,4-dimethylbenzene.

Molecular Properties

• Compound Name: 1-[[[bis(2,4-dimethylphenoxy)phosphanylimino-bis(2,4-dimethylphenoxy)-λ5-phosphanyl]amino]-(2,4-dimethylphenoxy)phosphanyl]oxy-2,4-dimethylbenzene
• PubChem CID: 87842913
• Molecular Formula: C48H55N2O6P3
• Molecular Weight: 848.90 g/mol
• Exact Mass: 848.33
• IUPAC Name: 1-[[[bis(2,4-dimethylphenoxy)phosphanylimino-bis(2,4-dimethylphenoxy)-λ5-phosphanyl]amino]-(2,4-dimethylphenoxy)phosphanyl]oxy-2,4-dimethylbenzene
• SMILES: Cc1ccc(OP(N=P(NP(Oc2ccc(C)cc2C)Oc2ccc(C)cc2C)(Oc2ccc(C)cc2C)Oc2ccc(C)cc2C)Oc2ccc(C)cc2C)c(C)c1
• InChI: InChI=1S/C48H55N2O6P3/c1-31-13-19-43(37(7)25-31)51-57(52-44-20-14-32(2)26-38(44)8)49-59(55-47-23-17-35(5)29-41(47)11,56-48-24-18-36(6)30-42(48)12)50-58(53-45-21-15-33(3)27-39(45)9)54-46-22-16-34(4)28-40(46)10/h13-30,49H,1-12H3
• InChIKey: GNIVAFSAUYTLOP-UHFFFAOYSA-N
• XLogP: 15.15
• TPSA: 79.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 15
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	848.90
LogP ≤ 5	15.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[[[bis(2,4-dimethylphenoxy)phosphanylimino-bis(2,4-dimethylphenoxy)-λ5-phosphanyl]amino]-(2,4-dimethylphenoxy)phosphanyl]oxy-2,4-dimethylbenzene?

The IUPAC name of 1-[[[bis(2,4-dimethylphenoxy)phosphanylimino-bis(2,4-dimethylphenoxy)-λ5-phosphanyl]amino]-(2,4-dimethylphenoxy)phosphanyl]oxy-2,4-dimethylbenzene (CID 87842913) is 1-[[[bis(2,4-dimethylphenoxy)phosphanylimino-bis(2,4-dimethylphenoxy)-λ5-phosphanyl]amino]-(2,4-dimethylphenoxy)phosphanyl]oxy-2,4-dimethylbenzene.

What is the SMILES notation for 1-[[[bis(2,4-dimethylphenoxy)phosphanylimino-bis(2,4-dimethylphenoxy)-λ5-phosphanyl]amino]-(2,4-dimethylphenoxy)phosphanyl]oxy-2,4-dimethylbenzene?

The canonical SMILES for 1-[[[bis(2,4-dimethylphenoxy)phosphanylimino-bis(2,4-dimethylphenoxy)-λ5-phosphanyl]amino]-(2,4-dimethylphenoxy)phosphanyl]oxy-2,4-dimethylbenzene is Cc1ccc(OP(N=P(NP(Oc2ccc(C)cc2C)Oc2ccc(C)cc2C)(Oc2ccc(C)cc2C)Oc2ccc(C)cc2C)Oc2ccc(C)cc2C)c(C)c1.

What is the InChIKey of 1-[[[bis(2,4-dimethylphenoxy)phosphanylimino-bis(2,4-dimethylphenoxy)-λ5-phosphanyl]amino]-(2,4-dimethylphenoxy)phosphanyl]oxy-2,4-dimethylbenzene?

The InChIKey is GNIVAFSAUYTLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H55N2O6P3/c1-31-13-19-43(37(7)25-31)51-57(52-44-20-14-32(2)26-38(44)8)49-59(55-47-23-17-35(5)29-41(47)11,56-48-24-18-36(6)30-42(48)12)50-58(53-45-21-15-33(3)27-39(45)9)54-46-22-16-34(4)28-40(46)10/h13-30,49H,1-12H3.

What are the key properties of 1-[[[bis(2,4-dimethylphenoxy)phosphanylimino-bis(2,4-dimethylphenoxy)-λ5-phosphanyl]amino]-(2,4-dimethylphenoxy)phosphanyl]oxy-2,4-dimethylbenzene?

1-[[[bis(2,4-dimethylphenoxy)phosphanylimino-bis(2,4-dimethylphenoxy)-λ5-phosphanyl]amino]-(2,4-dimethylphenoxy)phosphanyl]oxy-2,4-dimethylbenzene has a molecular weight of 848.90 g/mol, XLogP of 15.15, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[[bis(2,4-dimethylphenoxy)phosphanylimino-bis(2,4-dimethylphenoxy)-λ5-phosphanyl]amino]-(2,4-dimethylphenoxy)phosphanyl]oxy-2,4-dimethylbenzene is sourced from PubChem (CID 87842913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).