2-N,2-N,2-N',2-N'-tetramethyl-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene-2,2-diamine

C28H32N5P3 — CID 23419240

IUPAC2-N,2-N,2-N',2-N'-tetramethyl-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene-2,2-diamine
SMILESCN(C)P1(N(C)C)=NP(c2ccccc2)(c2ccccc2)=NP(c2ccccc2)(c2ccccc2)=N1
InChIInChI=1S/C28H32N5P3/c1-32(2)36(33(3)4)30-34(25-17-9-5-10-18-25,26-19-11-6-12-20-26)29-35(31-36,27-21-13-7-14-22-27)28-23-15-8-16-24-28/h5-24H,1-4H3
InChIKeyTWRRAVXJAKGWES-UHFFFAOYSA-N
MW531.52 g/mol
LogP6.60
Rot. Bonds6

About 2-N,2-N,2-N',2-N'-tetramethyl-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene-2,2-diamine

2-N,2-N,2-N',2-N'-tetramethyl-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene-2,2-diamine (PubChem CID 23419240) has the molecular formula C28H32N5P3 and a molecular weight of 531.52 g/mol. Its IUPAC name is 2-N,2-N,2-N',2-N'-tetramethyl-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene-2,2-diamine.

Molecular Properties

Compound Name2-N,2-N,2-N',2-N'-tetramethyl-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene-2,2-diamine
PubChem CID23419240
Molecular FormulaC28H32N5P3
Molecular Weight531.52 g/mol
Exact Mass531.19
IUPAC Name2-N,2-N,2-N',2-N'-tetramethyl-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene-2,2-diamine
SMILESCN(C)P1(N(C)C)=NP(c2ccccc2)(c2ccccc2)=NP(c2ccccc2)(c2ccccc2)=N1
InChIInChI=1S/C28H32N5P3/c1-32(2)36(33(3)4)30-34(25-17-9-5-10-18-25,26-19-11-6-12-20-26)29-35(31-36,27-21-13-7-14-22-27)28-23-15-8-16-24-28/h5-24H,1-4H3
InChIKeyTWRRAVXJAKGWES-UHFFFAOYSA-N
XLogP6.60
TPSA43.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.52
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-N,2-N,2-N',2-N'-tetramethyl-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene-2,2-diamine with MolForge

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Related Compounds

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CID 3036656
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CID 97350
Methanamine, N-(triphenylphosphoranylidene)-
CID 140311
P,P-Diphenyl-N-(triphenylphosphoranylidene)phosphinous amide
CID 416869
N,N,N',N'-tetrakis(diphenylphosphanylmethyl)ethane-1,2-diamine
CID 426533
(T-4)-Triphenyl(P,P,P-triphenylphosphine imidato-kappaN)phosphorus(1+)
CID 152326
Hexaphenyl cyclotriphosphazene
CID 284128
1,4-Bis(diphenylphosphanyl)piperazine
CID 306013
2,2-Dichloro-4,4,6,6-tetraphenylcyclotriphosphazene
CID 12948224
Phosphinous amide, N-(diphenylphosphino)-P,P-diphenyl-N-propyl-
CID 603415
Phosphinous amide, N-(diphenylphosphino)-N-ethyl-P,P-diphenyl-
CID 603666
Methylamine, N,N-bis(2-diphenylphosphinoethyl)-
CID 604044

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,2-N',2-N'-tetramethyl-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene-2,2-diamine?
The IUPAC name of 2-N,2-N,2-N',2-N'-tetramethyl-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene-2,2-diamine (CID 23419240) is 2-N,2-N,2-N',2-N'-tetramethyl-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene-2,2-diamine.
What is the SMILES notation for 2-N,2-N,2-N',2-N'-tetramethyl-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene-2,2-diamine?
The canonical SMILES for 2-N,2-N,2-N',2-N'-tetramethyl-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene-2,2-diamine is CN(C)P1(N(C)C)=NP(c2ccccc2)(c2ccccc2)=NP(c2ccccc2)(c2ccccc2)=N1.
What is the InChIKey of 2-N,2-N,2-N',2-N'-tetramethyl-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene-2,2-diamine?
The InChIKey is TWRRAVXJAKGWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N5P3/c1-32(2)36(33(3)4)30-34(25-17-9-5-10-18-25,26-19-11-6-12-20-26)29-35(31-36,27-21-13-7-14-22-27)28-23-15-8-16-24-28/h5-24H,1-4H3.
What are the key properties of 2-N,2-N,2-N',2-N'-tetramethyl-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene-2,2-diamine?
2-N,2-N,2-N',2-N'-tetramethyl-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene-2,2-diamine has a molecular weight of 531.52 g/mol, XLogP of 6.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,2-N',2-N'-tetramethyl-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene-2,2-diamine is sourced from PubChem (CID 23419240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).