[2,6-di(propan-2-yl)phenyl]imino-[6-[[2,6-di(propan-2-yl)phenyl]imino-methyl-phenyl-λ5-phosphanyl]dibenzofuran-4-yl]-methyl-phenyl-λ5-phosphane

C50H56N2OP2 — CID 139157975

About [2,6-di(propan-2-yl)phenyl]imino-[6-[[2,6-di(propan-2-yl)phenyl]imino-methyl-phenyl-λ5-phosphanyl]dibenzofuran-4-yl]-methyl-phenyl-λ5-phosphane

[2,6-di(propan-2-yl)phenyl]imino-[6-[[2,6-di(propan-2-yl)phenyl]imino-methyl-phenyl-λ5-phosphanyl]dibenzofuran-4-yl]-methyl-phenyl-λ5-phosphane (PubChem CID 139157975) has the molecular formula C50H56N2OP2 and a molecular weight of 762.96 g/mol. Its IUPAC name is [2,6-di(propan-2-yl)phenyl]imino-[6-[[2,6-di(propan-2-yl)phenyl]imino-methyl-phenyl-λ5-phosphanyl]dibenzofuran-4-yl]-methyl-phenyl-λ5-phosphane.

Molecular Properties

• Compound Name: [2,6-di(propan-2-yl)phenyl]imino-[6-[[2,6-di(propan-2-yl)phenyl]imino-methyl-phenyl-λ5-phosphanyl]dibenzofuran-4-yl]-methyl-phenyl-λ5-phosphane
• PubChem CID: 139157975
• Molecular Formula: C50H56N2OP2
• Molecular Weight: 762.96 g/mol
• Exact Mass: 762.39
• IUPAC Name: [2,6-di(propan-2-yl)phenyl]imino-[6-[[2,6-di(propan-2-yl)phenyl]imino-methyl-phenyl-λ5-phosphanyl]dibenzofuran-4-yl]-methyl-phenyl-λ5-phosphane
• SMILES: CC(C)c1cccc(C(C)C)c1N=[P@](C)(c1ccccc1)c1cccc2c1oc1c([P@](C)(=Nc3c(C(C)C)cccc3C(C)C)c3ccccc3)cccc12
• InChI: InChI=1S/C50H56N2OP2/c1-33(2)39-25-17-26-40(34(3)4)47(39)51-54(9,37-21-13-11-14-22-37)45-31-19-29-43-44-30-20-32-46(50(44)53-49(43)45)55(10,38-23-15-12-16-24-38)52-48-41(35(5)6)27-18-28-42(48)36(7)8/h11-36H,1-10H3/t54-,55-/m1/s1
• InChIKey: XGDVGHQHQHSKQO-RMLGUUAGSA-N
• XLogP: 14.31
• TPSA: 37.86 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	762.96
LogP ≤ 5	14.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2,6-di(propan-2-yl)phenyl]imino-[6-[[2,6-di(propan-2-yl)phenyl]imino-methyl-phenyl-λ5-phosphanyl]dibenzofuran-4-yl]-methyl-phenyl-λ5-phosphane?

The IUPAC name of [2,6-di(propan-2-yl)phenyl]imino-[6-[[2,6-di(propan-2-yl)phenyl]imino-methyl-phenyl-λ5-phosphanyl]dibenzofuran-4-yl]-methyl-phenyl-λ5-phosphane (CID 139157975) is [2,6-di(propan-2-yl)phenyl]imino-[6-[[2,6-di(propan-2-yl)phenyl]imino-methyl-phenyl-λ5-phosphanyl]dibenzofuran-4-yl]-methyl-phenyl-λ5-phosphane.

What is the SMILES notation for [2,6-di(propan-2-yl)phenyl]imino-[6-[[2,6-di(propan-2-yl)phenyl]imino-methyl-phenyl-λ5-phosphanyl]dibenzofuran-4-yl]-methyl-phenyl-λ5-phosphane?

The canonical SMILES for [2,6-di(propan-2-yl)phenyl]imino-[6-[[2,6-di(propan-2-yl)phenyl]imino-methyl-phenyl-λ5-phosphanyl]dibenzofuran-4-yl]-methyl-phenyl-λ5-phosphane is CC(C)c1cccc(C(C)C)c1N=[P@](C)(c1ccccc1)c1cccc2c1oc1c([P@](C)(=Nc3c(C(C)C)cccc3C(C)C)c3ccccc3)cccc12.

What is the InChIKey of [2,6-di(propan-2-yl)phenyl]imino-[6-[[2,6-di(propan-2-yl)phenyl]imino-methyl-phenyl-λ5-phosphanyl]dibenzofuran-4-yl]-methyl-phenyl-λ5-phosphane?

The InChIKey is XGDVGHQHQHSKQO-RMLGUUAGSA-N. The full InChI is InChI=1S/C50H56N2OP2/c1-33(2)39-25-17-26-40(34(3)4)47(39)51-54(9,37-21-13-11-14-22-37)45-31-19-29-43-44-30-20-32-46(50(44)53-49(43)45)55(10,38-23-15-12-16-24-38)52-48-41(35(5)6)27-18-28-42(48)36(7)8/h11-36H,1-10H3/t54-,55-/m1/s1.

What are the key properties of [2,6-di(propan-2-yl)phenyl]imino-[6-[[2,6-di(propan-2-yl)phenyl]imino-methyl-phenyl-λ5-phosphanyl]dibenzofuran-4-yl]-methyl-phenyl-λ5-phosphane?

[2,6-di(propan-2-yl)phenyl]imino-[6-[[2,6-di(propan-2-yl)phenyl]imino-methyl-phenyl-λ5-phosphanyl]dibenzofuran-4-yl]-methyl-phenyl-λ5-phosphane has a molecular weight of 762.96 g/mol, XLogP of 14.31, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [2,6-di(propan-2-yl)phenyl]imino-[6-[[2,6-di(propan-2-yl)phenyl]imino-methyl-phenyl-λ5-phosphanyl]dibenzofuran-4-yl]-methyl-phenyl-λ5-phosphane is sourced from PubChem (CID 139157975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).