2,2-diazido-4,6-bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triaza-2lambda5-phosphacyclohexa-1,3,5-triene

C16F30N9P — CID 13445781

IUPAC2,2-diazido-4,6-bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triaza-2lambda5-phosphacyclohexa-1,3,5-triene
SMILES[N-]=[N+]=NP1(N=[N+]=[N-])=NC(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)=NC(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)=N1
InChIInChI=1S/C16F30N9P/c17-3(18,5(21,22)7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)43)1-49-2(51-56(50-1,54-52-47)55-53-48)4(19,20)6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(44,45)46
InChIKeyOXYTULQNNXZBJK-UHFFFAOYSA-N
MW919.15 g/mol
LogP12.11
Rot. Bonds14

About 2,2-diazido-4,6-bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triaza-2lambda5-phosphacyclohexa-1,3,5-triene

2,2-diazido-4,6-bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triaza-2lambda5-phosphacyclohexa-1,3,5-triene (PubChem CID 13445781) has the molecular formula C16F30N9P and a molecular weight of 919.15 g/mol. Its IUPAC name is 2,2-diazido-4,6-bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triaza-2lambda5-phosphacyclohexa-1,3,5-triene.

Molecular Properties

Compound Name2,2-diazido-4,6-bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triaza-2lambda5-phosphacyclohexa-1,3,5-triene
PubChem CID13445781
Molecular FormulaC16F30N9P
Molecular Weight919.15 g/mol
Exact Mass918.95
IUPAC Name2,2-diazido-4,6-bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triaza-2lambda5-phosphacyclohexa-1,3,5-triene
SMILES[N-]=[N+]=NP1(N=[N+]=[N-])=NC(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)=NC(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)=N1
InChIInChI=1S/C16F30N9P/c17-3(18,5(21,22)7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)43)1-49-2(51-56(50-1,54-52-47)55-53-48)4(19,20)6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(44,45)46
InChIKeyOXYTULQNNXZBJK-UHFFFAOYSA-N
XLogP12.11
TPSA134.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.15
LogP ≤ 512.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2,4,6-Tris(pentadecafluoroheptyl)-1,3,5-triazine
CID 550641
2,4,6-Tris(nonadecafluorononyl)-1,3,5-triazine
CID 636356
2,2-Diazido-4,6-bis(pentadecafluoroheptyl)-1,3,5,2lambda~5~-triazaphosphinine
CID 138394624
2,4,6-Tris(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-1,3,5-triazine
CID 10953348
2-[Perfluoroheptyl]-4,6-bis[trifluoromethyl]-1,3,5-triazine
CID 550577
2,4,6-Tris(tridecafluorohexyl)-1,3,5-triazine
CID 12568336
2,4-Bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-6-(trifluoromethyl)-1,3,5-triazine
CID 160189740

Frequently Asked Questions

What is the IUPAC name of 2,2-diazido-4,6-bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triaza-2lambda5-phosphacyclohexa-1,3,5-triene?
The IUPAC name of 2,2-diazido-4,6-bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triaza-2lambda5-phosphacyclohexa-1,3,5-triene (CID 13445781) is 2,2-diazido-4,6-bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triaza-2lambda5-phosphacyclohexa-1,3,5-triene.
What is the SMILES notation for 2,2-diazido-4,6-bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triaza-2lambda5-phosphacyclohexa-1,3,5-triene?
The canonical SMILES for 2,2-diazido-4,6-bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triaza-2lambda5-phosphacyclohexa-1,3,5-triene is [N-]=[N+]=NP1(N=[N+]=[N-])=NC(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)=NC(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)=N1.
What is the InChIKey of 2,2-diazido-4,6-bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triaza-2lambda5-phosphacyclohexa-1,3,5-triene?
The InChIKey is OXYTULQNNXZBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16F30N9P/c17-3(18,5(21,22)7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)43)1-49-2(51-56(50-1,54-52-47)55-53-48)4(19,20)6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(44,45)46.
What are the key properties of 2,2-diazido-4,6-bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triaza-2lambda5-phosphacyclohexa-1,3,5-triene?
2,2-diazido-4,6-bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triaza-2lambda5-phosphacyclohexa-1,3,5-triene has a molecular weight of 919.15 g/mol, XLogP of 12.11, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diazido-4,6-bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triaza-2lambda5-phosphacyclohexa-1,3,5-triene is sourced from PubChem (CID 13445781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).