1-ethyl-4-[[3-[(1-ethyl-7,7,9,9,11,11-hexapyrrolidin-1-yl-1,4,6,8,10,12-hexaza-5λ5,7λ5,9λ5,11λ5-tetraphosphaspiro[4.7]dodeca-5,7,9,11-tetraen-4-yl)methyl]phenyl]methyl]-7,7,9,9,11,11-hexapyrrolidin-1-yl-1,4,6,8,10,12-hexaza-5λ5,7λ5,9λ5,11λ5-tetraphosphaspiro[4.7]dodeca-5,7,9,11-tetraene

C64H122N24P8 — CID 132554718

About 1-ethyl-4-[[3-[(1-ethyl-7,7,9,9,11,11-hexapyrrolidin-1-yl-1,4,6,8,10,12-hexaza-5λ5,7λ5,9λ5,11λ5-tetraphosphaspiro[4.7]dodeca-5,7,9,11-tetraen-4-yl)methyl]phenyl]methyl]-7,7,9,9,11,11-hexapyrrolidin-1-yl-1,4,6,8,10,12-hexaza-5λ5,7λ5,9λ5,11λ5-tetraphosphaspiro[4.7]dodeca-5,7,9,11-tetraene

1-ethyl-4-[[3-[(1-ethyl-7,7,9,9,11,11-hexapyrrolidin-1-yl-1,4,6,8,10,12-hexaza-5λ5,7λ5,9λ5,11λ5-tetraphosphaspiro[4.7]dodeca-5,7,9,11-tetraen-4-yl)methyl]phenyl]methyl]-7,7,9,9,11,11-hexapyrrolidin-1-yl-1,4,6,8,10,12-hexaza-5λ5,7λ5,9λ5,11λ5-tetraphosphaspiro[4.7]dodeca-5,7,9,11-tetraene (PubChem CID 132554718) has the molecular formula C64H122N24P8 and a molecular weight of 1475.64 g/mol. Its IUPAC name is 1-ethyl-4-[[3-[(1-ethyl-7,7,9,9,11,11-hexapyrrolidin-1-yl-1,4,6,8,10,12-hexaza-5λ5,7λ5,9λ5,11λ5-tetraphosphaspiro[4.7]dodeca-5,7,9,11-tetraen-4-yl)methyl]phenyl]methyl]-7,7,9,9,11,11-hexapyrrolidin-1-yl-1,4,6,8,10,12-hexaza-5λ5,7λ5,9λ5,11λ5-tetraphosphaspiro[4.7]dodeca-5,7,9,11-tetraene.

Molecular Properties

• Compound Name: 1-ethyl-4-[[3-[(1-ethyl-7,7,9,9,11,11-hexapyrrolidin-1-yl-1,4,6,8,10,12-hexaza-5λ5,7λ5,9λ5,11λ5-tetraphosphaspiro[4.7]dodeca-5,7,9,11-tetraen-4-yl)methyl]phenyl]methyl]-7,7,9,9,11,11-hexapyrrolidin-1-yl-1,4,6,8,10,12-hexaza-5λ5,7λ5,9λ5,11λ5-tetraphosphaspiro[4.7]dodeca-5,7,9,11-tetraene
• PubChem CID: 132554718
• Molecular Formula: C64H122N24P8
• Molecular Weight: 1475.64 g/mol
• Exact Mass: 1474.82
• IUPAC Name: 1-ethyl-4-[[3-[(1-ethyl-7,7,9,9,11,11-hexapyrrolidin-1-yl-1,4,6,8,10,12-hexaza-5λ5,7λ5,9λ5,11λ5-tetraphosphaspiro[4.7]dodeca-5,7,9,11-tetraen-4-yl)methyl]phenyl]methyl]-7,7,9,9,11,11-hexapyrrolidin-1-yl-1,4,6,8,10,12-hexaza-5λ5,7λ5,9λ5,11λ5-tetraphosphaspiro[4.7]dodeca-5,7,9,11-tetraene
• SMILES: CCN1CCN(Cc2cccc(CN3CCN(CC)P34=NP(N3CCCC3)(N3CCCC3)=NP(N3CCCC3)(N3CCCC3)=NP(N3CCCC3)(N3CCCC3)=N4)c2)P12=NP(N1CCCC1)(N1CCCC1)=NP(N1CCCC1)(N1CCCC1)=NP(N1CCCC1)(N1CCCC1)=N2
• InChI: InChI=1S/C64H122N24P8/c1-3-73-56-58-87(89(73)65-91(75-32-5-6-33-75,76-34-7-8-35-76)69-95(83-48-21-22-49-83,84-50-23-24-51-84)70-92(66-89,77-36-9-10-37-77)78-38-11-12-39-78)61-63-30-29-31-64(60-63)62-88-59-57-74(4-2)90(88)67-93(79-40-13-14-41-79,80-42-15-16-43-80)71-96(85-52-25-26-53-85,86-54-27-28-55-86)72-94(68-90,81-44-17-18-45-81)82-46-19-20-47-82/h29-31,60H,3-28,32-59,61-62H2,1-2H3
• InChIKey: UOQATDBSUZKMMS-UHFFFAOYSA-N
• XLogP: 16.71
• TPSA: 150.72 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 18
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1475.64
LogP ≤ 5	16.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[3-[(1-ethyl-7,7,9,9,11,11-hexapyrrolidin-1-yl-1,4,6,8,10,12-hexaza-5λ5,7λ5,9λ5,11λ5-tetraphosphaspiro[4.7]dodeca-5,7,9,11-tetraen-4-yl)methyl]phenyl]methyl]-7,7,9,9,11,11-hexapyrrolidin-1-yl-1,4,6,8,10,12-hexaza-5λ5,7λ5,9λ5,11λ5-tetraphosphaspiro[4.7]dodeca-5,7,9,11-tetraene?

The IUPAC name of 1-ethyl-4-[[3-[(1-ethyl-7,7,9,9,11,11-hexapyrrolidin-1-yl-1,4,6,8,10,12-hexaza-5λ5,7λ5,9λ5,11λ5-tetraphosphaspiro[4.7]dodeca-5,7,9,11-tetraen-4-yl)methyl]phenyl]methyl]-7,7,9,9,11,11-hexapyrrolidin-1-yl-1,4,6,8,10,12-hexaza-5λ5,7λ5,9λ5,11λ5-tetraphosphaspiro[4.7]dodeca-5,7,9,11-tetraene (CID 132554718) is 1-ethyl-4-[[3-[(1-ethyl-7,7,9,9,11,11-hexapyrrolidin-1-yl-1,4,6,8,10,12-hexaza-5λ5,7λ5,9λ5,11λ5-tetraphosphaspiro[4.7]dodeca-5,7,9,11-tetraen-4-yl)methyl]phenyl]methyl]-7,7,9,9,11,11-hexapyrrolidin-1-yl-1,4,6,8,10,12-hexaza-5λ5,7λ5,9λ5,11λ5-tetraphosphaspiro[4.7]dodeca-5,7,9,11-tetraene.

What is the SMILES notation for 1-ethyl-4-[[3-[(1-ethyl-7,7,9,9,11,11-hexapyrrolidin-1-yl-1,4,6,8,10,12-hexaza-5λ5,7λ5,9λ5,11λ5-tetraphosphaspiro[4.7]dodeca-5,7,9,11-tetraen-4-yl)methyl]phenyl]methyl]-7,7,9,9,11,11-hexapyrrolidin-1-yl-1,4,6,8,10,12-hexaza-5λ5,7λ5,9λ5,11λ5-tetraphosphaspiro[4.7]dodeca-5,7,9,11-tetraene?

The canonical SMILES for 1-ethyl-4-[[3-[(1-ethyl-7,7,9,9,11,11-hexapyrrolidin-1-yl-1,4,6,8,10,12-hexaza-5λ5,7λ5,9λ5,11λ5-tetraphosphaspiro[4.7]dodeca-5,7,9,11-tetraen-4-yl)methyl]phenyl]methyl]-7,7,9,9,11,11-hexapyrrolidin-1-yl-1,4,6,8,10,12-hexaza-5λ5,7λ5,9λ5,11λ5-tetraphosphaspiro[4.7]dodeca-5,7,9,11-tetraene is CCN1CCN(Cc2cccc(CN3CCN(CC)P34=NP(N3CCCC3)(N3CCCC3)=NP(N3CCCC3)(N3CCCC3)=NP(N3CCCC3)(N3CCCC3)=N4)c2)P12=NP(N1CCCC1)(N1CCCC1)=NP(N1CCCC1)(N1CCCC1)=NP(N1CCCC1)(N1CCCC1)=N2.

What is the InChIKey of 1-ethyl-4-[[3-[(1-ethyl-7,7,9,9,11,11-hexapyrrolidin-1-yl-1,4,6,8,10,12-hexaza-5λ5,7λ5,9λ5,11λ5-tetraphosphaspiro[4.7]dodeca-5,7,9,11-tetraen-4-yl)methyl]phenyl]methyl]-7,7,9,9,11,11-hexapyrrolidin-1-yl-1,4,6,8,10,12-hexaza-5λ5,7λ5,9λ5,11λ5-tetraphosphaspiro[4.7]dodeca-5,7,9,11-tetraene?

The InChIKey is UOQATDBSUZKMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H122N24P8/c1-3-73-56-58-87(89(73)65-91(75-32-5-6-33-75,76-34-7-8-35-76)69-95(83-48-21-22-49-83,84-50-23-24-51-84)70-92(66-89,77-36-9-10-37-77)78-38-11-12-39-78)61-63-30-29-31-64(60-63)62-88-59-57-74(4-2)90(88)67-93(79-40-13-14-41-79,80-42-15-16-43-80)71-96(85-52-25-26-53-85,86-54-27-28-55-86)72-94(68-90,81-44-17-18-45-81)82-46-19-20-47-82/h29-31,60H,3-28,32-59,61-62H2,1-2H3.

What are the key properties of 1-ethyl-4-[[3-[(1-ethyl-7,7,9,9,11,11-hexapyrrolidin-1-yl-1,4,6,8,10,12-hexaza-5λ5,7λ5,9λ5,11λ5-tetraphosphaspiro[4.7]dodeca-5,7,9,11-tetraen-4-yl)methyl]phenyl]methyl]-7,7,9,9,11,11-hexapyrrolidin-1-yl-1,4,6,8,10,12-hexaza-5λ5,7λ5,9λ5,11λ5-tetraphosphaspiro[4.7]dodeca-5,7,9,11-tetraene?

1-ethyl-4-[[3-[(1-ethyl-7,7,9,9,11,11-hexapyrrolidin-1-yl-1,4,6,8,10,12-hexaza-5λ5,7λ5,9λ5,11λ5-tetraphosphaspiro[4.7]dodeca-5,7,9,11-tetraen-4-yl)methyl]phenyl]methyl]-7,7,9,9,11,11-hexapyrrolidin-1-yl-1,4,6,8,10,12-hexaza-5λ5,7λ5,9λ5,11λ5-tetraphosphaspiro[4.7]dodeca-5,7,9,11-tetraene has a molecular weight of 1475.64 g/mol, XLogP of 16.71, 18 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-4-[[3-[(1-ethyl-7,7,9,9,11,11-hexapyrrolidin-1-yl-1,4,6,8,10,12-hexaza-5λ5,7λ5,9λ5,11λ5-tetraphosphaspiro[4.7]dodeca-5,7,9,11-tetraen-4-yl)methyl]phenyl]methyl]-7,7,9,9,11,11-hexapyrrolidin-1-yl-1,4,6,8,10,12-hexaza-5λ5,7λ5,9λ5,11λ5-tetraphosphaspiro[4.7]dodeca-5,7,9,11-tetraene is sourced from PubChem (CID 132554718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).