[dimethylamino-[3-[[3-[[dimethylamino(dimethylazaniumylidene)methyl]amino]phenyl]-phenylphosphanyl]anilino]methylidene]-dimethylazanium

C28H39N6P+2 — CID 139239101

IUPAC[dimethylamino-[3-[[3-[[dimethylamino(dimethylazaniumylidene)methyl]amino]phenyl]-phenylphosphanyl]anilino]methylidene]-dimethylazanium
SMILESCN(C)C(Nc1cccc(P(c2ccccc2)c2cccc(NC(N(C)C)=[N+](C)C)c2)c1)=[N+](C)C
InChIInChI=1S/C28H37N6P/c1-31(2)27(32(3)4)29-22-14-12-18-25(20-22)35(24-16-10-9-11-17-24)26-19-13-15-23(21-26)30-28(33(5)6)34(7)8/h9-21H,1-8H3/p+2
InChIKeyFDULJSCWXKPCEY-UHFFFAOYSA-P
MW490.64 g/mol
LogP2.65
Rot. Bonds5

About [dimethylamino-[3-[[3-[[dimethylamino(dimethylazaniumylidene)methyl]amino]phenyl]-phenylphosphanyl]anilino]methylidene]-dimethylazanium

[dimethylamino-[3-[[3-[[dimethylamino(dimethylazaniumylidene)methyl]amino]phenyl]-phenylphosphanyl]anilino]methylidene]-dimethylazanium (PubChem CID 139239101) has the molecular formula C28H39N6P+2 and a molecular weight of 490.64 g/mol. Its IUPAC name is [dimethylamino-[3-[[3-[[dimethylamino(dimethylazaniumylidene)methyl]amino]phenyl]-phenylphosphanyl]anilino]methylidene]-dimethylazanium.

Molecular Properties

Compound Name[dimethylamino-[3-[[3-[[dimethylamino(dimethylazaniumylidene)methyl]amino]phenyl]-phenylphosphanyl]anilino]methylidene]-dimethylazanium
PubChem CID139239101
Molecular FormulaC28H39N6P+2
Molecular Weight490.64 g/mol
Exact Mass490.30
IUPAC Name[dimethylamino-[3-[[3-[[dimethylamino(dimethylazaniumylidene)methyl]amino]phenyl]-phenylphosphanyl]anilino]methylidene]-dimethylazanium
SMILESCN(C)C(Nc1cccc(P(c2ccccc2)c2cccc(NC(N(C)C)=[N+](C)C)c2)c1)=[N+](C)C
InChIInChI=1S/C28H37N6P/c1-31(2)27(32(3)4)29-22-14-12-18-25(20-22)35(24-16-10-9-11-17-24)26-19-13-15-23(21-26)30-28(33(5)6)34(7)8/h9-21H,1-8H3/p+2
InChIKeyFDULJSCWXKPCEY-UHFFFAOYSA-P
XLogP2.65
TPSA36.56 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.64
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

[anilino(dimethylamino)methylidene]-dimethylazanium
CID 638167
1-(3-diphenylphosphanylphenyl)-3-phenylurea
CID 71413565
rhodium(3+);nonakis(triphenylphosphane);trichloride
CID 173040367
triphenylphosphane
CID 139056248
1-(4-chlorophenyl)-3-[3-[phenyl-(2,4,6-trimethylphenyl)phosphanyl]phenyl]urea
CID 177392162
[(dianilinomethylideneamino)-(dimethylamino)methylidene]-dimethylazanium
CID 140927135
tetrasodium;trioxido-[3-[phenyl-(3-phosphonatophenyl)phosphanyl]phenyl]phosphanium
CID 101086425
silane;triphenylphosphane
CID 161037280
triphenylphosphane;yttrium
CID 139917776
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
pentakis(palladium);hexadecakis(triphenylphosphane)
CID 173116735
2,2-dimethylpropane;triphenylphosphane
CID 143924519

Frequently Asked Questions

What is the IUPAC name of [dimethylamino-[3-[[3-[[dimethylamino(dimethylazaniumylidene)methyl]amino]phenyl]-phenylphosphanyl]anilino]methylidene]-dimethylazanium?
The IUPAC name of [dimethylamino-[3-[[3-[[dimethylamino(dimethylazaniumylidene)methyl]amino]phenyl]-phenylphosphanyl]anilino]methylidene]-dimethylazanium (CID 139239101) is [dimethylamino-[3-[[3-[[dimethylamino(dimethylazaniumylidene)methyl]amino]phenyl]-phenylphosphanyl]anilino]methylidene]-dimethylazanium.
What is the SMILES notation for [dimethylamino-[3-[[3-[[dimethylamino(dimethylazaniumylidene)methyl]amino]phenyl]-phenylphosphanyl]anilino]methylidene]-dimethylazanium?
The canonical SMILES for [dimethylamino-[3-[[3-[[dimethylamino(dimethylazaniumylidene)methyl]amino]phenyl]-phenylphosphanyl]anilino]methylidene]-dimethylazanium is CN(C)C(Nc1cccc(P(c2ccccc2)c2cccc(NC(N(C)C)=[N+](C)C)c2)c1)=[N+](C)C.
What is the InChIKey of [dimethylamino-[3-[[3-[[dimethylamino(dimethylazaniumylidene)methyl]amino]phenyl]-phenylphosphanyl]anilino]methylidene]-dimethylazanium?
The InChIKey is FDULJSCWXKPCEY-UHFFFAOYSA-P. The full InChI is InChI=1S/C28H37N6P/c1-31(2)27(32(3)4)29-22-14-12-18-25(20-22)35(24-16-10-9-11-17-24)26-19-13-15-23(21-26)30-28(33(5)6)34(7)8/h9-21H,1-8H3/p+2.
What are the key properties of [dimethylamino-[3-[[3-[[dimethylamino(dimethylazaniumylidene)methyl]amino]phenyl]-phenylphosphanyl]anilino]methylidene]-dimethylazanium?
[dimethylamino-[3-[[3-[[dimethylamino(dimethylazaniumylidene)methyl]amino]phenyl]-phenylphosphanyl]anilino]methylidene]-dimethylazanium has a molecular weight of 490.64 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethylamino-[3-[[3-[[dimethylamino(dimethylazaniumylidene)methyl]amino]phenyl]-phenylphosphanyl]anilino]methylidene]-dimethylazanium is sourced from PubChem (CID 139239101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).