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

C33H31N5P+ — CID 129056312

IUPAC[4-[4-[[[amino-(diaminomethylideneamino)methylidene]amino]methyl]phenyl]phenyl]-triphenylphosphanium
SMILESNC(N)=N/C(N)=N/Cc1ccc(-c2ccc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C33H31N5P/c34-32(35)38-33(36)37-24-25-16-18-26(19-17-25)27-20-22-31(23-21-27)39(28-10-4-1-5-11-28,29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-23H,24H2,(H6,34,35,36,37,38)/q+1
InChIKeyRGWWXYHKOOVIDD-UHFFFAOYSA-N
MW528.62 g/mol
LogP4.06
Rot. Bonds7

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

[4-[4-[[[amino-(diaminomethylideneamino)methylidene]amino]methyl]phenyl]phenyl]-triphenylphosphanium (PubChem CID 129056312) has the molecular formula C33H31N5P+ and a molecular weight of 528.62 g/mol. Its IUPAC name is [4-[4-[[[amino-(diaminomethylideneamino)methylidene]amino]methyl]phenyl]phenyl]-triphenylphosphanium.

Molecular Properties

Compound Name[4-[4-[[[amino-(diaminomethylideneamino)methylidene]amino]methyl]phenyl]phenyl]-triphenylphosphanium
PubChem CID129056312
Molecular FormulaC33H31N5P+
Molecular Weight528.62 g/mol
Exact Mass528.23
IUPAC Name[4-[4-[[[amino-(diaminomethylideneamino)methylidene]amino]methyl]phenyl]phenyl]-triphenylphosphanium
SMILESNC(N)=N/C(N)=N/Cc1ccc(-c2ccc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C33H31N5P/c34-32(35)38-33(36)37-24-25-16-18-26(19-17-25)27-20-22-31(23-21-27)39(28-10-4-1-5-11-28,29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-23H,24H2,(H6,34,35,36,37,38)/q+1
InChIKeyRGWWXYHKOOVIDD-UHFFFAOYSA-N
XLogP4.06
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.62
LogP ≤ 54.06
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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Related Compounds

[4-[[[amino-(1-aminoethylideneamino)methylidene]amino]methyl]phenyl]-triphenylphosphanium
CID 159777979
2-[(4-bromophenyl)methyl]-1-(diaminomethylidene)guanidine;hydrochloride
CID 11971697
1-[amino-(diaminomethylideneamino)methylidene]-2-(2-phenylethyl)guanidine
CID 154046017
1-(diaminomethylidene)-2-(2-phenylethyl)guanidine;hydron;chloride
CID 657277
1-(diaminomethylidene)-2-[(4-methylsulfonylphenyl)methyl]guanidine
CID 83035929
[(E)-[amino-(diaminomethylideneamino)methylidene]amino]methyl-diphenyl-phenylphosphanium
CID 176622991
2-[(3-bromophenyl)methyl]-1-(diaminomethylidene)guanidine
CID 23637934
1-(diaminomethylidene)-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)guanidine;hydrochloride
CID 162334537
(1E)-1-[amino-(4-methylanilino)methylidene]-2-benzylguanidine
CID 11971695
2-[(4-bromo-3-methylphenyl)methyl]-1-(diaminomethylidene)guanidine
CID 118466297
2-[(2-bromophenyl)methyl]-1-(diaminomethylidene)guanidine;hydrochloride
CID 162310547
1-(diaminomethylidene)-2-(2-phenoxyethyl)guanidine
CID 11401770

Frequently Asked Questions

What is the IUPAC name of [4-[4-[[[amino-(diaminomethylideneamino)methylidene]amino]methyl]phenyl]phenyl]-triphenylphosphanium?
The IUPAC name of [4-[4-[[[amino-(diaminomethylideneamino)methylidene]amino]methyl]phenyl]phenyl]-triphenylphosphanium (CID 129056312) is [4-[4-[[[amino-(diaminomethylideneamino)methylidene]amino]methyl]phenyl]phenyl]-triphenylphosphanium.
What is the SMILES notation for [4-[4-[[[amino-(diaminomethylideneamino)methylidene]amino]methyl]phenyl]phenyl]-triphenylphosphanium?
The canonical SMILES for [4-[4-[[[amino-(diaminomethylideneamino)methylidene]amino]methyl]phenyl]phenyl]-triphenylphosphanium is NC(N)=N/C(N)=N/Cc1ccc(-c2ccc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of [4-[4-[[[amino-(diaminomethylideneamino)methylidene]amino]methyl]phenyl]phenyl]-triphenylphosphanium?
The InChIKey is RGWWXYHKOOVIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31N5P/c34-32(35)38-33(36)37-24-25-16-18-26(19-17-25)27-20-22-31(23-21-27)39(28-10-4-1-5-11-28,29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-23H,24H2,(H6,34,35,36,37,38)/q+1.
What are the key properties of [4-[4-[[[amino-(diaminomethylideneamino)methylidene]amino]methyl]phenyl]phenyl]-triphenylphosphanium?
[4-[4-[[[amino-(diaminomethylideneamino)methylidene]amino]methyl]phenyl]phenyl]-triphenylphosphanium has a molecular weight of 528.62 g/mol, XLogP of 4.06, 7 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[[[amino-(diaminomethylideneamino)methylidene]amino]methyl]phenyl]phenyl]-triphenylphosphanium is sourced from PubChem (CID 129056312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).