[(5R,6S,9R)-2-[2,6-di(propan-2-yl)phenyl]-9-methyl-6-propan-2-yl-2-azaspiro[4.5]decan-1-ylidene]-[[(5R,6S,9R)-2-[2,6-di(propan-2-yl)phenyl]-3,3,9-trimethyl-6-propan-2-yl-2-azaspiro[4.5]decan-1-ylidene]phosphanylphosphanylidenephosphanyl]phosphane

C52H82N2P4 — CID 23642958

About [(5R,6S,9R)-2-[2,6-di(propan-2-yl)phenyl]-9-methyl-6-propan-2-yl-2-azaspiro[4.5]decan-1-ylidene]-[[(5R,6S,9R)-2-[2,6-di(propan-2-yl)phenyl]-3,3,9-trimethyl-6-propan-2-yl-2-azaspiro[4.5]decan-1-ylidene]phosphanylphosphanylidenephosphanyl]phosphane

[(5R,6S,9R)-2-[2,6-di(propan-2-yl)phenyl]-9-methyl-6-propan-2-yl-2-azaspiro[4.5]decan-1-ylidene]-[[(5R,6S,9R)-2-[2,6-di(propan-2-yl)phenyl]-3,3,9-trimethyl-6-propan-2-yl-2-azaspiro[4.5]decan-1-ylidene]phosphanylphosphanylidenephosphanyl]phosphane (PubChem CID 23642958) has the molecular formula C52H82N2P4 and a molecular weight of 859.14 g/mol. Its IUPAC name is [(5R,6S,9R)-2-[2,6-di(propan-2-yl)phenyl]-9-methyl-6-propan-2-yl-2-azaspiro[4.5]decan-1-ylidene]-[[(5R,6S,9R)-2-[2,6-di(propan-2-yl)phenyl]-3,3,9-trimethyl-6-propan-2-yl-2-azaspiro[4.5]decan-1-ylidene]phosphanylphosphanylidenephosphanyl]phosphane.

Molecular Properties

• Compound Name: [(5R,6S,9R)-2-[2,6-di(propan-2-yl)phenyl]-9-methyl-6-propan-2-yl-2-azaspiro[4.5]decan-1-ylidene]-[[(5R,6S,9R)-2-[2,6-di(propan-2-yl)phenyl]-3,3,9-trimethyl-6-propan-2-yl-2-azaspiro[4.5]decan-1-ylidene]phosphanylphosphanylidenephosphanyl]phosphane
• PubChem CID: 23642958
• Molecular Formula: C52H82N2P4
• Molecular Weight: 859.14 g/mol
• Exact Mass: 858.54
• IUPAC Name: [(5R,6S,9R)-2-[2,6-di(propan-2-yl)phenyl]-9-methyl-6-propan-2-yl-2-azaspiro[4.5]decan-1-ylidene]-[[(5R,6S,9R)-2-[2,6-di(propan-2-yl)phenyl]-3,3,9-trimethyl-6-propan-2-yl-2-azaspiro[4.5]decan-1-ylidene]phosphanylphosphanylidenephosphanyl]phosphane
• SMILES: CC(C)c1cccc(C(C)C)c1N1CC[C@@]2(C[C@H](C)CC[C@H]2C(C)C)/C1=P\P=P\P=C1\N(c2c(C(C)C)cccc2C(C)C)C(C)(C)C[C@@]12C[C@H](C)CC[C@H]2C(C)C
• InChI: InChI=1S/C52H82N2P4/c1-32(2)40-19-17-20-41(33(3)4)46(40)53-28-27-51(29-38(13)23-25-44(51)36(9)10)48(53)55-57-58-56-49-52(30-39(14)24-26-45(52)37(11)12)31-50(15,16)54(49)47-42(34(5)6)21-18-22-43(47)35(7)8/h17-22,32-39,44-45H,23-31H2,1-16H3/t38-,39-,44+,45+,51+,52-/m1/s1
• InChIKey: KKHVYJYNTKHBQD-XZURDLBASA-N
• XLogP: 18.03
• TPSA: 6.48 Ų
• Rotatable Bonds: 10
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	859.14
LogP ≤ 5	18.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(5R,6S,9R)-2-[2,6-di(propan-2-yl)phenyl]-9-methyl-6-propan-2-yl-2-azaspiro[4.5]decan-1-ylidene]-[[(5R,6S,9R)-2-[2,6-di(propan-2-yl)phenyl]-3,3,9-trimethyl-6-propan-2-yl-2-azaspiro[4.5]decan-1-ylidene]phosphanylphosphanylidenephosphanyl]phosphane?

The IUPAC name of [(5R,6S,9R)-2-[2,6-di(propan-2-yl)phenyl]-9-methyl-6-propan-2-yl-2-azaspiro[4.5]decan-1-ylidene]-[[(5R,6S,9R)-2-[2,6-di(propan-2-yl)phenyl]-3,3,9-trimethyl-6-propan-2-yl-2-azaspiro[4.5]decan-1-ylidene]phosphanylphosphanylidenephosphanyl]phosphane (CID 23642958) is [(5R,6S,9R)-2-[2,6-di(propan-2-yl)phenyl]-9-methyl-6-propan-2-yl-2-azaspiro[4.5]decan-1-ylidene]-[[(5R,6S,9R)-2-[2,6-di(propan-2-yl)phenyl]-3,3,9-trimethyl-6-propan-2-yl-2-azaspiro[4.5]decan-1-ylidene]phosphanylphosphanylidenephosphanyl]phosphane.

What is the SMILES notation for [(5R,6S,9R)-2-[2,6-di(propan-2-yl)phenyl]-9-methyl-6-propan-2-yl-2-azaspiro[4.5]decan-1-ylidene]-[[(5R,6S,9R)-2-[2,6-di(propan-2-yl)phenyl]-3,3,9-trimethyl-6-propan-2-yl-2-azaspiro[4.5]decan-1-ylidene]phosphanylphosphanylidenephosphanyl]phosphane?

The canonical SMILES for [(5R,6S,9R)-2-[2,6-di(propan-2-yl)phenyl]-9-methyl-6-propan-2-yl-2-azaspiro[4.5]decan-1-ylidene]-[[(5R,6S,9R)-2-[2,6-di(propan-2-yl)phenyl]-3,3,9-trimethyl-6-propan-2-yl-2-azaspiro[4.5]decan-1-ylidene]phosphanylphosphanylidenephosphanyl]phosphane is CC(C)c1cccc(C(C)C)c1N1CC[C@@]2(C[C@H](C)CC[C@H]2C(C)C)/C1=P\P=P\P=C1\N(c2c(C(C)C)cccc2C(C)C)C(C)(C)C[C@@]12C[C@H](C)CC[C@H]2C(C)C.

What is the InChIKey of [(5R,6S,9R)-2-[2,6-di(propan-2-yl)phenyl]-9-methyl-6-propan-2-yl-2-azaspiro[4.5]decan-1-ylidene]-[[(5R,6S,9R)-2-[2,6-di(propan-2-yl)phenyl]-3,3,9-trimethyl-6-propan-2-yl-2-azaspiro[4.5]decan-1-ylidene]phosphanylphosphanylidenephosphanyl]phosphane?

The InChIKey is KKHVYJYNTKHBQD-XZURDLBASA-N. The full InChI is InChI=1S/C52H82N2P4/c1-32(2)40-19-17-20-41(33(3)4)46(40)53-28-27-51(29-38(13)23-25-44(51)36(9)10)48(53)55-57-58-56-49-52(30-39(14)24-26-45(52)37(11)12)31-50(15,16)54(49)47-42(34(5)6)21-18-22-43(47)35(7)8/h17-22,32-39,44-45H,23-31H2,1-16H3/t38-,39-,44+,45+,51+,52-/m1/s1.

What are the key properties of [(5R,6S,9R)-2-[2,6-di(propan-2-yl)phenyl]-9-methyl-6-propan-2-yl-2-azaspiro[4.5]decan-1-ylidene]-[[(5R,6S,9R)-2-[2,6-di(propan-2-yl)phenyl]-3,3,9-trimethyl-6-propan-2-yl-2-azaspiro[4.5]decan-1-ylidene]phosphanylphosphanylidenephosphanyl]phosphane?

[(5R,6S,9R)-2-[2,6-di(propan-2-yl)phenyl]-9-methyl-6-propan-2-yl-2-azaspiro[4.5]decan-1-ylidene]-[[(5R,6S,9R)-2-[2,6-di(propan-2-yl)phenyl]-3,3,9-trimethyl-6-propan-2-yl-2-azaspiro[4.5]decan-1-ylidene]phosphanylphosphanylidenephosphanyl]phosphane has a molecular weight of 859.14 g/mol, XLogP of 18.03, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for [(5R,6S,9R)-2-[2,6-di(propan-2-yl)phenyl]-9-methyl-6-propan-2-yl-2-azaspiro[4.5]decan-1-ylidene]-[[(5R,6S,9R)-2-[2,6-di(propan-2-yl)phenyl]-3,3,9-trimethyl-6-propan-2-yl-2-azaspiro[4.5]decan-1-ylidene]phosphanylphosphanylidenephosphanyl]phosphane is sourced from PubChem (CID 23642958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).