[4-[bis(dipropylamino)-propylphosphaniumyl]phenyl]-bis(dipropylamino)-propylphosphanium

C36H74N4P2+2 — CID 3090591

IUPAC[4-[bis(dipropylamino)-propylphosphaniumyl]phenyl]-bis(dipropylamino)-propylphosphanium
SMILESCCCN(CCC)[P+](CCC)(c1ccc([P+](CCC)(N(CCC)CCC)N(CCC)CCC)cc1)N(CCC)CCC
InChIInChI=1S/C36H74N4P2/c1-11-25-37(26-12-2)41(33-19-9,38(27-13-3)28-14-4)35-21-23-36(24-22-35)42(34-20-10,39(29-15-5)30-16-6)40(31-17-7)32-18-8/h21-24H,11-20,25-34H2,1-10H3/q+2
InChIKeyGYVONSVFACCRLA-UHFFFAOYSA-N
MW624.96 g/mol
LogP9.94
Rot. Bonds26

About [4-[bis(dipropylamino)-propylphosphaniumyl]phenyl]-bis(dipropylamino)-propylphosphanium

[4-[bis(dipropylamino)-propylphosphaniumyl]phenyl]-bis(dipropylamino)-propylphosphanium (PubChem CID 3090591) has the molecular formula C36H74N4P2+2 and a molecular weight of 624.96 g/mol. Its IUPAC name is [4-[bis(dipropylamino)-propylphosphaniumyl]phenyl]-bis(dipropylamino)-propylphosphanium.

Molecular Properties

Compound Name[4-[bis(dipropylamino)-propylphosphaniumyl]phenyl]-bis(dipropylamino)-propylphosphanium
PubChem CID3090591
Molecular FormulaC36H74N4P2+2
Molecular Weight624.96 g/mol
Exact Mass624.54
IUPAC Name[4-[bis(dipropylamino)-propylphosphaniumyl]phenyl]-bis(dipropylamino)-propylphosphanium
SMILESCCCN(CCC)[P+](CCC)(c1ccc([P+](CCC)(N(CCC)CCC)N(CCC)CCC)cc1)N(CCC)CCC
InChIInChI=1S/C36H74N4P2/c1-11-25-37(26-12-2)41(33-19-9,38(27-13-3)28-14-4)35-21-23-36(24-22-35)42(34-20-10,39(29-15-5)30-16-6)40(31-17-7)32-18-8/h21-24H,11-20,25-34H2,1-10H3/q+2
InChIKeyGYVONSVFACCRLA-UHFFFAOYSA-N
XLogP9.94
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds26
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.96
LogP ≤ 59.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[bis(dipropylamino)-propylphosphaniumyl]phenyl]-bis(dipropylamino)-propylphosphanium?
The IUPAC name of [4-[bis(dipropylamino)-propylphosphaniumyl]phenyl]-bis(dipropylamino)-propylphosphanium (CID 3090591) is [4-[bis(dipropylamino)-propylphosphaniumyl]phenyl]-bis(dipropylamino)-propylphosphanium.
What is the SMILES notation for [4-[bis(dipropylamino)-propylphosphaniumyl]phenyl]-bis(dipropylamino)-propylphosphanium?
The canonical SMILES for [4-[bis(dipropylamino)-propylphosphaniumyl]phenyl]-bis(dipropylamino)-propylphosphanium is CCCN(CCC)[P+](CCC)(c1ccc([P+](CCC)(N(CCC)CCC)N(CCC)CCC)cc1)N(CCC)CCC.
What is the InChIKey of [4-[bis(dipropylamino)-propylphosphaniumyl]phenyl]-bis(dipropylamino)-propylphosphanium?
The InChIKey is GYVONSVFACCRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H74N4P2/c1-11-25-37(26-12-2)41(33-19-9,38(27-13-3)28-14-4)35-21-23-36(24-22-35)42(34-20-10,39(29-15-5)30-16-6)40(31-17-7)32-18-8/h21-24H,11-20,25-34H2,1-10H3/q+2.
What are the key properties of [4-[bis(dipropylamino)-propylphosphaniumyl]phenyl]-bis(dipropylamino)-propylphosphanium?
[4-[bis(dipropylamino)-propylphosphaniumyl]phenyl]-bis(dipropylamino)-propylphosphanium has a molecular weight of 624.96 g/mol, XLogP of 9.94, 26 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[bis(dipropylamino)-propylphosphaniumyl]phenyl]-bis(dipropylamino)-propylphosphanium is sourced from PubChem (CID 3090591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).