3-N,3-N,3-N',3-N',9-pentamethyl-5-phenyl-2,4,8,9-tetraza-3lambda5-phosphabicyclo[4.3.0]nona-1(6),2,4,7-tetraene-3,3,7-triamine

C15H22N7P — CID 2997957

IUPAC3-N,3-N,3-N',3-N',9-pentamethyl-5-phenyl-2,4,8,9-tetraza-3lambda5-phosphabicyclo[4.3.0]nona-1(6),2,4,7-tetraene-3,3,7-triamine
SMILESCN(C)P1(N(C)C)=Nc2c(c(N)nn2C)C(c2ccccc2)=N1
InChIInChI=1S/C15H22N7P/c1-20(2)23(21(3)4)18-13(11-9-7-6-8-10-11)12-14(16)17-22(5)15(12)19-23/h6-10H,1-5H3,(H2,16,17)
InChIKeyPTJKNOMFJNFJOL-UHFFFAOYSA-N
MW331.36 g/mol
LogP2.55
Rot. Bonds3

About 3-N,3-N,3-N',3-N',9-pentamethyl-5-phenyl-2,4,8,9-tetraza-3lambda5-phosphabicyclo[4.3.0]nona-1(6),2,4,7-tetraene-3,3,7-triamine

3-N,3-N,3-N',3-N',9-pentamethyl-5-phenyl-2,4,8,9-tetraza-3lambda5-phosphabicyclo[4.3.0]nona-1(6),2,4,7-tetraene-3,3,7-triamine (PubChem CID 2997957) has the molecular formula C15H22N7P and a molecular weight of 331.36 g/mol. Its IUPAC name is 3-N,3-N,3-N',3-N',9-pentamethyl-5-phenyl-2,4,8,9-tetraza-3lambda5-phosphabicyclo[4.3.0]nona-1(6),2,4,7-tetraene-3,3,7-triamine.

Molecular Properties

Compound Name3-N,3-N,3-N',3-N',9-pentamethyl-5-phenyl-2,4,8,9-tetraza-3lambda5-phosphabicyclo[4.3.0]nona-1(6),2,4,7-tetraene-3,3,7-triamine
PubChem CID2997957
Molecular FormulaC15H22N7P
Molecular Weight331.36 g/mol
Exact Mass331.17
IUPAC Name3-N,3-N,3-N',3-N',9-pentamethyl-5-phenyl-2,4,8,9-tetraza-3lambda5-phosphabicyclo[4.3.0]nona-1(6),2,4,7-tetraene-3,3,7-triamine
SMILESCN(C)P1(N(C)C)=Nc2c(c(N)nn2C)C(c2ccccc2)=N1
InChIInChI=1S/C15H22N7P/c1-20(2)23(21(3)4)18-13(11-9-7-6-8-10-11)12-14(16)17-22(5)15(12)19-23/h6-10H,1-5H3,(H2,16,17)
InChIKeyPTJKNOMFJNFJOL-UHFFFAOYSA-N
XLogP2.55
TPSA75.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-N,3-N,3-N',3-N',9-pentamethyl-5-phenyl-2,4,8,9-tetraza-3lambda5-phosphabicyclo[4.3.0]nona-1(6),2,4,7-tetraene-3,3,7-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,3-N',3-N',9-pentamethyl-5-phenyl-2,4,8,9-tetraza-3lambda5-phosphabicyclo[4.3.0]nona-1(6),2,4,7-tetraene-3,3,7-triamine?
The IUPAC name of 3-N,3-N,3-N',3-N',9-pentamethyl-5-phenyl-2,4,8,9-tetraza-3lambda5-phosphabicyclo[4.3.0]nona-1(6),2,4,7-tetraene-3,3,7-triamine (CID 2997957) is 3-N,3-N,3-N',3-N',9-pentamethyl-5-phenyl-2,4,8,9-tetraza-3lambda5-phosphabicyclo[4.3.0]nona-1(6),2,4,7-tetraene-3,3,7-triamine.
What is the SMILES notation for 3-N,3-N,3-N',3-N',9-pentamethyl-5-phenyl-2,4,8,9-tetraza-3lambda5-phosphabicyclo[4.3.0]nona-1(6),2,4,7-tetraene-3,3,7-triamine?
The canonical SMILES for 3-N,3-N,3-N',3-N',9-pentamethyl-5-phenyl-2,4,8,9-tetraza-3lambda5-phosphabicyclo[4.3.0]nona-1(6),2,4,7-tetraene-3,3,7-triamine is CN(C)P1(N(C)C)=Nc2c(c(N)nn2C)C(c2ccccc2)=N1.
What is the InChIKey of 3-N,3-N,3-N',3-N',9-pentamethyl-5-phenyl-2,4,8,9-tetraza-3lambda5-phosphabicyclo[4.3.0]nona-1(6),2,4,7-tetraene-3,3,7-triamine?
The InChIKey is PTJKNOMFJNFJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N7P/c1-20(2)23(21(3)4)18-13(11-9-7-6-8-10-11)12-14(16)17-22(5)15(12)19-23/h6-10H,1-5H3,(H2,16,17).
What are the key properties of 3-N,3-N,3-N',3-N',9-pentamethyl-5-phenyl-2,4,8,9-tetraza-3lambda5-phosphabicyclo[4.3.0]nona-1(6),2,4,7-tetraene-3,3,7-triamine?
3-N,3-N,3-N',3-N',9-pentamethyl-5-phenyl-2,4,8,9-tetraza-3lambda5-phosphabicyclo[4.3.0]nona-1(6),2,4,7-tetraene-3,3,7-triamine has a molecular weight of 331.36 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,3-N',3-N',9-pentamethyl-5-phenyl-2,4,8,9-tetraza-3lambda5-phosphabicyclo[4.3.0]nona-1(6),2,4,7-tetraene-3,3,7-triamine is sourced from PubChem (CID 2997957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).