2-N,2-N,2-N',2-N',4-N,4-N,4-N',4-N',6-N,6-N,6-N',6-N'-dodecaethyl-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene-2,2,4,4,6,6-hexamine

C24H60N9P3 — CID 3657757

IUPAC2-N,2-N,2-N',2-N',4-N,4-N,4-N',4-N',6-N,6-N,6-N',6-N'-dodecaethyl-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene-2,2,4,4,6,6-hexamine
SMILESCCN(CC)P1(N(CC)CC)=NP(N(CC)CC)(N(CC)CC)=NP(N(CC)CC)(N(CC)CC)=N1
InChIInChI=1S/C24H60N9P3/c1-13-28(14-2)34(29(15-3)16-4)25-35(30(17-5)18-6,31(19-7)20-8)27-36(26-34,32(21-9)22-10)33(23-11)24-12/h13-24H2,1-12H3
InChIKeyKUCGBYLUQWCSBS-UHFFFAOYSA-N
MW567.73 g/mol
LogP7.89
Rot. Bonds18

About 2-N,2-N,2-N',2-N',4-N,4-N,4-N',4-N',6-N,6-N,6-N',6-N'-dodecaethyl-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene-2,2,4,4,6,6-hexamine

2-N,2-N,2-N',2-N',4-N,4-N,4-N',4-N',6-N,6-N,6-N',6-N'-dodecaethyl-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene-2,2,4,4,6,6-hexamine (PubChem CID 3657757) has the molecular formula C24H60N9P3 and a molecular weight of 567.73 g/mol. Its IUPAC name is 2-N,2-N,2-N',2-N',4-N,4-N,4-N',4-N',6-N,6-N,6-N',6-N'-dodecaethyl-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene-2,2,4,4,6,6-hexamine.

Molecular Properties

Compound Name2-N,2-N,2-N',2-N',4-N,4-N,4-N',4-N',6-N,6-N,6-N',6-N'-dodecaethyl-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene-2,2,4,4,6,6-hexamine
PubChem CID3657757
Molecular FormulaC24H60N9P3
Molecular Weight567.73 g/mol
Exact Mass567.42
IUPAC Name2-N,2-N,2-N',2-N',4-N,4-N,4-N',4-N',6-N,6-N,6-N',6-N'-dodecaethyl-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene-2,2,4,4,6,6-hexamine
SMILESCCN(CC)P1(N(CC)CC)=NP(N(CC)CC)(N(CC)CC)=NP(N(CC)CC)(N(CC)CC)=N1
InChIInChI=1S/C24H60N9P3/c1-13-28(14-2)34(29(15-3)16-4)25-35(30(17-5)18-6,31(19-7)20-8)27-36(26-34,32(21-9)22-10)33(23-11)24-12/h13-24H2,1-12H3
InChIKeyKUCGBYLUQWCSBS-UHFFFAOYSA-N
XLogP7.89
TPSA56.52 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.73
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-N,2-N,2-N',2-N',4-N,4-N,4-N',4-N',6-N,6-N,6-N',6-N'-dodecaethyl-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene-2,2,4,4,6,6-hexamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,2-N',2-N',4-N,4-N,4-N',4-N',6-N,6-N,6-N',6-N'-dodecaethyl-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene-2,2,4,4,6,6-hexamine?
The IUPAC name of 2-N,2-N,2-N',2-N',4-N,4-N,4-N',4-N',6-N,6-N,6-N',6-N'-dodecaethyl-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene-2,2,4,4,6,6-hexamine (CID 3657757) is 2-N,2-N,2-N',2-N',4-N,4-N,4-N',4-N',6-N,6-N,6-N',6-N'-dodecaethyl-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene-2,2,4,4,6,6-hexamine.
What is the SMILES notation for 2-N,2-N,2-N',2-N',4-N,4-N,4-N',4-N',6-N,6-N,6-N',6-N'-dodecaethyl-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene-2,2,4,4,6,6-hexamine?
The canonical SMILES for 2-N,2-N,2-N',2-N',4-N,4-N,4-N',4-N',6-N,6-N,6-N',6-N'-dodecaethyl-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene-2,2,4,4,6,6-hexamine is CCN(CC)P1(N(CC)CC)=NP(N(CC)CC)(N(CC)CC)=NP(N(CC)CC)(N(CC)CC)=N1.
What is the InChIKey of 2-N,2-N,2-N',2-N',4-N,4-N,4-N',4-N',6-N,6-N,6-N',6-N'-dodecaethyl-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene-2,2,4,4,6,6-hexamine?
The InChIKey is KUCGBYLUQWCSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H60N9P3/c1-13-28(14-2)34(29(15-3)16-4)25-35(30(17-5)18-6,31(19-7)20-8)27-36(26-34,32(21-9)22-10)33(23-11)24-12/h13-24H2,1-12H3.
What are the key properties of 2-N,2-N,2-N',2-N',4-N,4-N,4-N',4-N',6-N,6-N,6-N',6-N'-dodecaethyl-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene-2,2,4,4,6,6-hexamine?
2-N,2-N,2-N',2-N',4-N,4-N,4-N',4-N',6-N,6-N,6-N',6-N'-dodecaethyl-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene-2,2,4,4,6,6-hexamine has a molecular weight of 567.73 g/mol, XLogP of 7.89, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,2-N',2-N',4-N,4-N,4-N',4-N',6-N,6-N,6-N',6-N'-dodecaethyl-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene-2,2,4,4,6,6-hexamine is sourced from PubChem (CID 3657757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).