2-N,2-N,2-N',2-N',4-N,4-N,6-N,6-N,8-N,8-N-decamethyl-4,6,8-triphenoxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,2,4,6,8-pentamine

C28H45N9O3P4 — CID 23419417

IUPAC2-N,2-N,2-N',2-N',4-N,4-N,6-N,6-N,8-N,8-N-decamethyl-4,6,8-triphenoxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,2,4,6,8-pentamine
SMILESCN(C)P1(Oc2ccccc2)=NP(Oc2ccccc2)(N(C)C)=NP(N(C)C)(N(C)C)=NP(Oc2ccccc2)(N(C)C)=N1
InChIInChI=1S/C28H45N9O3P4/c1-33(2)41(34(3)4)29-42(35(5)6,38-26-20-14-11-15-21-26)31-44(37(9)10,40-28-24-18-13-19-25-28)32-43(30-41,36(7)8)39-27-22-16-12-17-23-27/h11-25H,1-10H3
InChIKeyUZZFEECXPNTYBR-UHFFFAOYSA-N
MW679.62 g/mol
LogP8.83
Rot. Bonds11

About 2-N,2-N,2-N',2-N',4-N,4-N,6-N,6-N,8-N,8-N-decamethyl-4,6,8-triphenoxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,2,4,6,8-pentamine

2-N,2-N,2-N',2-N',4-N,4-N,6-N,6-N,8-N,8-N-decamethyl-4,6,8-triphenoxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,2,4,6,8-pentamine (PubChem CID 23419417) has the molecular formula C28H45N9O3P4 and a molecular weight of 679.62 g/mol. Its IUPAC name is 2-N,2-N,2-N',2-N',4-N,4-N,6-N,6-N,8-N,8-N-decamethyl-4,6,8-triphenoxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,2,4,6,8-pentamine.

Molecular Properties

Compound Name2-N,2-N,2-N',2-N',4-N,4-N,6-N,6-N,8-N,8-N-decamethyl-4,6,8-triphenoxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,2,4,6,8-pentamine
PubChem CID23419417
Molecular FormulaC28H45N9O3P4
Molecular Weight679.62 g/mol
Exact Mass679.26
IUPAC Name2-N,2-N,2-N',2-N',4-N,4-N,6-N,6-N,8-N,8-N-decamethyl-4,6,8-triphenoxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,2,4,6,8-pentamine
SMILESCN(C)P1(Oc2ccccc2)=NP(Oc2ccccc2)(N(C)C)=NP(N(C)C)(N(C)C)=NP(Oc2ccccc2)(N(C)C)=N1
InChIInChI=1S/C28H45N9O3P4/c1-33(2)41(34(3)4)29-42(35(5)6,38-26-20-14-11-15-21-26)31-44(37(9)10,40-28-24-18-13-19-25-28)32-43(30-41,36(7)8)39-27-22-16-12-17-23-27/h11-25H,1-10H3
InChIKeyUZZFEECXPNTYBR-UHFFFAOYSA-N
XLogP8.83
TPSA93.33 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500679.62
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-N,2-N,2-N',2-N',4-N,4-N,6-N,6-N,8-N,8-N-decamethyl-4,6,8-triphenoxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,2,4,6,8-pentamine with MolForge

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Related Compounds

2,4,6,8,10,12-hexafluoro-2,4,6,8,10,12-hexaphenoxy-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene
CID 59283717
2-methoxy-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
CID 139877927
2-phenoxy-2,4,4,6,6,8,8-hepta(propan-2-yloxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene
CID 139877873
2,4,6-triethoxy-2,4,6-triphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
CID 68558324
N,N-dimethylmethanamine;O-phenylhydroxylamine
CID 174658047
1,2-dimethyl-1,2-diphenoxyhydrazine;hydrochloride
CID 172705670
2,2,4,4,6,6,8-heptaethoxy-8-phenoxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene
CID 139877917
4,4,5,5-tetramethyl-2-phenoxy-1,3,2λ5-dioxaphospholane 2-oxide
CID 23416155
2,2,4-triethoxy-4,6,6,8,8-pentaphenoxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene
CID 139877983
2,2,4,4-tetraphenoxy-6,6-dipropoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
CID 139877889
2,4,6-tris(2,4-dimethylphenoxy)-2,4,6-triphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
CID 66679687
2,2,4,4-tetrachloro-6,6-diphenoxy-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene
CID 14366454

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,2-N',2-N',4-N,4-N,6-N,6-N,8-N,8-N-decamethyl-4,6,8-triphenoxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,2,4,6,8-pentamine?
The IUPAC name of 2-N,2-N,2-N',2-N',4-N,4-N,6-N,6-N,8-N,8-N-decamethyl-4,6,8-triphenoxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,2,4,6,8-pentamine (CID 23419417) is 2-N,2-N,2-N',2-N',4-N,4-N,6-N,6-N,8-N,8-N-decamethyl-4,6,8-triphenoxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,2,4,6,8-pentamine.
What is the SMILES notation for 2-N,2-N,2-N',2-N',4-N,4-N,6-N,6-N,8-N,8-N-decamethyl-4,6,8-triphenoxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,2,4,6,8-pentamine?
The canonical SMILES for 2-N,2-N,2-N',2-N',4-N,4-N,6-N,6-N,8-N,8-N-decamethyl-4,6,8-triphenoxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,2,4,6,8-pentamine is CN(C)P1(Oc2ccccc2)=NP(Oc2ccccc2)(N(C)C)=NP(N(C)C)(N(C)C)=NP(Oc2ccccc2)(N(C)C)=N1.
What is the InChIKey of 2-N,2-N,2-N',2-N',4-N,4-N,6-N,6-N,8-N,8-N-decamethyl-4,6,8-triphenoxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,2,4,6,8-pentamine?
The InChIKey is UZZFEECXPNTYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H45N9O3P4/c1-33(2)41(34(3)4)29-42(35(5)6,38-26-20-14-11-15-21-26)31-44(37(9)10,40-28-24-18-13-19-25-28)32-43(30-41,36(7)8)39-27-22-16-12-17-23-27/h11-25H,1-10H3.
What are the key properties of 2-N,2-N,2-N',2-N',4-N,4-N,6-N,6-N,8-N,8-N-decamethyl-4,6,8-triphenoxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,2,4,6,8-pentamine?
2-N,2-N,2-N',2-N',4-N,4-N,6-N,6-N,8-N,8-N-decamethyl-4,6,8-triphenoxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,2,4,6,8-pentamine has a molecular weight of 679.62 g/mol, XLogP of 8.83, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,2-N',2-N',4-N,4-N,6-N,6-N,8-N,8-N-decamethyl-4,6,8-triphenoxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,2,4,6,8-pentamine is sourced from PubChem (CID 23419417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).