[4-[[[amino-(diaminomethylideneamino)methylidene]amino]methyl]phenyl]methyl-triphenylphosphanium

C28H29N5P+ — CID 129056063

IUPAC[4-[[[amino-(diaminomethylideneamino)methylidene]amino]methyl]phenyl]methyl-triphenylphosphanium
SMILESNC(N)=N/C(N)=N/Cc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H29N5P/c29-27(30)33-28(31)32-20-22-16-18-23(19-17-22)21-34(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-19H,20-21H2,(H6,29,30,31,32,33)/q+1
InChIKeyWEPRVFSSVSDMIX-UHFFFAOYSA-N
MW466.55 g/mol
LogP3.27
Rot. Bonds7

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

[4-[[[amino-(diaminomethylideneamino)methylidene]amino]methyl]phenyl]methyl-triphenylphosphanium (PubChem CID 129056063) has the molecular formula C28H29N5P+ and a molecular weight of 466.55 g/mol. Its IUPAC name is [4-[[[amino-(diaminomethylideneamino)methylidene]amino]methyl]phenyl]methyl-triphenylphosphanium.

Molecular Properties

Compound Name[4-[[[amino-(diaminomethylideneamino)methylidene]amino]methyl]phenyl]methyl-triphenylphosphanium
PubChem CID129056063
Molecular FormulaC28H29N5P+
Molecular Weight466.55 g/mol
Exact Mass466.22
IUPAC Name[4-[[[amino-(diaminomethylideneamino)methylidene]amino]methyl]phenyl]methyl-triphenylphosphanium
SMILESNC(N)=N/C(N)=N/Cc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H29N5P/c29-27(30)33-28(31)32-20-22-16-18-23(19-17-22)21-34(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-19H,20-21H2,(H6,29,30,31,32,33)/q+1
InChIKeyWEPRVFSSVSDMIX-UHFFFAOYSA-N
XLogP3.27
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 53.27
H-Bond Donors ≤ 53
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-(diaminomethylideneamino)methylidene]amino]methyl]phenyl]methyl-triphenylphosphanium?
The IUPAC name of [4-[[[amino-(diaminomethylideneamino)methylidene]amino]methyl]phenyl]methyl-triphenylphosphanium (CID 129056063) is [4-[[[amino-(diaminomethylideneamino)methylidene]amino]methyl]phenyl]methyl-triphenylphosphanium.
What is the SMILES notation for [4-[[[amino-(diaminomethylideneamino)methylidene]amino]methyl]phenyl]methyl-triphenylphosphanium?
The canonical SMILES for [4-[[[amino-(diaminomethylideneamino)methylidene]amino]methyl]phenyl]methyl-triphenylphosphanium is NC(N)=N/C(N)=N/Cc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [4-[[[amino-(diaminomethylideneamino)methylidene]amino]methyl]phenyl]methyl-triphenylphosphanium?
The InChIKey is WEPRVFSSVSDMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5P/c29-27(30)33-28(31)32-20-22-16-18-23(19-17-22)21-34(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-19H,20-21H2,(H6,29,30,31,32,33)/q+1.
What are the key properties of [4-[[[amino-(diaminomethylideneamino)methylidene]amino]methyl]phenyl]methyl-triphenylphosphanium?
[4-[[[amino-(diaminomethylideneamino)methylidene]amino]methyl]phenyl]methyl-triphenylphosphanium has a molecular weight of 466.55 g/mol, XLogP of 3.27, 7 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[amino-(diaminomethylideneamino)methylidene]amino]methyl]phenyl]methyl-triphenylphosphanium is sourced from PubChem (CID 129056063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).