[4-[[[amino-(1-aminoethylideneamino)methylidene]amino]methyl]phenyl]methyl-triphenylphosphanium

C29H30N4P+ — CID 158620633

IUPAC[4-[[[amino-(1-aminoethylideneamino)methylidene]amino]methyl]phenyl]methyl-triphenylphosphanium
SMILESCC(N)=N/C(N)=N/Cc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H30N4P/c1-23(30)33-29(31)32-21-24-17-19-25(20-18-24)22-34(26-11-5-2-6-12-26,27-13-7-3-8-14-27)28-15-9-4-10-16-28/h2-20H,21-22H2,1H3,(H4,30,31,32,33)/q+1
InChIKeyKDICLGYUIXNXBV-UHFFFAOYSA-N
MW465.56 g/mol
LogP4.37
Rot. Bonds7

About [4-[[[amino-(1-aminoethylideneamino)methylidene]amino]methyl]phenyl]methyl-triphenylphosphanium

[4-[[[amino-(1-aminoethylideneamino)methylidene]amino]methyl]phenyl]methyl-triphenylphosphanium (PubChem CID 158620633) has the molecular formula C29H30N4P+ and a molecular weight of 465.56 g/mol. Its IUPAC name is [4-[[[amino-(1-aminoethylideneamino)methylidene]amino]methyl]phenyl]methyl-triphenylphosphanium.

Molecular Properties

Compound Name[4-[[[amino-(1-aminoethylideneamino)methylidene]amino]methyl]phenyl]methyl-triphenylphosphanium
PubChem CID158620633
Molecular FormulaC29H30N4P+
Molecular Weight465.56 g/mol
Exact Mass465.22
IUPAC Name[4-[[[amino-(1-aminoethylideneamino)methylidene]amino]methyl]phenyl]methyl-triphenylphosphanium
SMILESCC(N)=N/C(N)=N/Cc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H30N4P/c1-23(30)33-29(31)32-21-24-17-19-25(20-18-24)22-34(26-11-5-2-6-12-26,27-13-7-3-8-14-27)28-15-9-4-10-16-28/h2-20H,21-22H2,1H3,(H4,30,31,32,33)/q+1
InChIKeyKDICLGYUIXNXBV-UHFFFAOYSA-N
XLogP4.37
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[[[amino-(1-aminoethylideneamino)methylidene]amino]methyl]phenyl]methyl-triphenylphosphanium?
The IUPAC name of [4-[[[amino-(1-aminoethylideneamino)methylidene]amino]methyl]phenyl]methyl-triphenylphosphanium (CID 158620633) is [4-[[[amino-(1-aminoethylideneamino)methylidene]amino]methyl]phenyl]methyl-triphenylphosphanium.
What is the SMILES notation for [4-[[[amino-(1-aminoethylideneamino)methylidene]amino]methyl]phenyl]methyl-triphenylphosphanium?
The canonical SMILES for [4-[[[amino-(1-aminoethylideneamino)methylidene]amino]methyl]phenyl]methyl-triphenylphosphanium is CC(N)=N/C(N)=N/Cc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [4-[[[amino-(1-aminoethylideneamino)methylidene]amino]methyl]phenyl]methyl-triphenylphosphanium?
The InChIKey is KDICLGYUIXNXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4P/c1-23(30)33-29(31)32-21-24-17-19-25(20-18-24)22-34(26-11-5-2-6-12-26,27-13-7-3-8-14-27)28-15-9-4-10-16-28/h2-20H,21-22H2,1H3,(H4,30,31,32,33)/q+1.
What are the key properties of [4-[[[amino-(1-aminoethylideneamino)methylidene]amino]methyl]phenyl]methyl-triphenylphosphanium?
[4-[[[amino-(1-aminoethylideneamino)methylidene]amino]methyl]phenyl]methyl-triphenylphosphanium has a molecular weight of 465.56 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[amino-(1-aminoethylideneamino)methylidene]amino]methyl]phenyl]methyl-triphenylphosphanium is sourced from PubChem (CID 158620633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).