17,17-dimethyl-17-azonia-1-phosphapentacyclo[7.7.1.02,16.03,8.010,15]heptadeca-3,5,7,10,12,14-hexaene

C17H17NP+ — CID 134863151

IUPAC17,17-dimethyl-17-azonia-1-phosphapentacyclo[7.7.1.02,16.03,8.010,15]heptadeca-3,5,7,10,12,14-hexaene
SMILESC[N+]1(C)C2c3ccccc3C3C(c4ccccc42)P31
InChIInChI=1S/C17H17NP/c1-18(2)15-11-7-3-5-9-13(11)16-17(19(16)18)14-10-6-4-8-12(14)15/h3-10,15-17H,1-2H3/q+1
InChIKeyNDQJAPKXOJQPQZ-UHFFFAOYSA-N
MW266.30 g/mol
LogP4.37
Rot. Bonds

About 17,17-dimethyl-17-azonia-1-phosphapentacyclo[7.7.1.02,16.03,8.010,15]heptadeca-3,5,7,10,12,14-hexaene

17,17-dimethyl-17-azonia-1-phosphapentacyclo[7.7.1.02,16.03,8.010,15]heptadeca-3,5,7,10,12,14-hexaene (PubChem CID 134863151) has the molecular formula C17H17NP+ and a molecular weight of 266.30 g/mol. Its IUPAC name is 17,17-dimethyl-17-azonia-1-phosphapentacyclo[7.7.1.02,16.03,8.010,15]heptadeca-3,5,7,10,12,14-hexaene.

Molecular Properties

Compound Name17,17-dimethyl-17-azonia-1-phosphapentacyclo[7.7.1.02,16.03,8.010,15]heptadeca-3,5,7,10,12,14-hexaene
PubChem CID134863151
Molecular FormulaC17H17NP+
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name17,17-dimethyl-17-azonia-1-phosphapentacyclo[7.7.1.02,16.03,8.010,15]heptadeca-3,5,7,10,12,14-hexaene
SMILESC[N+]1(C)C2c3ccccc3C3C(c4ccccc42)P31
InChIInChI=1S/C17H17NP/c1-18(2)15-11-7-3-5-9-13(11)16-17(19(16)18)14-10-6-4-8-12(14)15/h3-10,15-17H,1-2H3/q+1
InChIKeyNDQJAPKXOJQPQZ-UHFFFAOYSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 17,17-dimethyl-17-azonia-1-phosphapentacyclo[7.7.1.02,16.03,8.010,15]heptadeca-3,5,7,10,12,14-hexaene with MolForge

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Related Compounds

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CID 24841234
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Frequently Asked Questions

What is the IUPAC name of 17,17-dimethyl-17-azonia-1-phosphapentacyclo[7.7.1.02,16.03,8.010,15]heptadeca-3,5,7,10,12,14-hexaene?
The IUPAC name of 17,17-dimethyl-17-azonia-1-phosphapentacyclo[7.7.1.02,16.03,8.010,15]heptadeca-3,5,7,10,12,14-hexaene (CID 134863151) is 17,17-dimethyl-17-azonia-1-phosphapentacyclo[7.7.1.02,16.03,8.010,15]heptadeca-3,5,7,10,12,14-hexaene.
What is the SMILES notation for 17,17-dimethyl-17-azonia-1-phosphapentacyclo[7.7.1.02,16.03,8.010,15]heptadeca-3,5,7,10,12,14-hexaene?
The canonical SMILES for 17,17-dimethyl-17-azonia-1-phosphapentacyclo[7.7.1.02,16.03,8.010,15]heptadeca-3,5,7,10,12,14-hexaene is C[N+]1(C)C2c3ccccc3C3C(c4ccccc42)P31.
What is the InChIKey of 17,17-dimethyl-17-azonia-1-phosphapentacyclo[7.7.1.02,16.03,8.010,15]heptadeca-3,5,7,10,12,14-hexaene?
The InChIKey is NDQJAPKXOJQPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NP/c1-18(2)15-11-7-3-5-9-13(11)16-17(19(16)18)14-10-6-4-8-12(14)15/h3-10,15-17H,1-2H3/q+1.
What are the key properties of 17,17-dimethyl-17-azonia-1-phosphapentacyclo[7.7.1.02,16.03,8.010,15]heptadeca-3,5,7,10,12,14-hexaene?
17,17-dimethyl-17-azonia-1-phosphapentacyclo[7.7.1.02,16.03,8.010,15]heptadeca-3,5,7,10,12,14-hexaene has a molecular weight of 266.30 g/mol, XLogP of 4.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 17,17-dimethyl-17-azonia-1-phosphapentacyclo[7.7.1.02,16.03,8.010,15]heptadeca-3,5,7,10,12,14-hexaene is sourced from PubChem (CID 134863151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).