6,10-dibenzyl-3,6,10-triaza-1-azonia-8-phosphatricyclo[7.3.0.03,7]dodeca-1(9),4,7,11-tetraene

C21H20N4P+ — CID 139186156

IUPAC6,10-dibenzyl-3,6,10-triaza-1-azonia-8-phosphatricyclo[7.3.0.03,7]dodeca-1(9),4,7,11-tetraene
SMILESC1=CN2C[n+]3ccn(Cc4ccccc4)c3P=C2N1Cc1ccccc1
InChIInChI=1S/C21H20N4P/c1-3-7-18(8-4-1)15-22-11-13-24-17-25-14-12-23(21(25)26-20(22)24)16-19-9-5-2-6-10-19/h1-14H,15-17H2/q+1
InChIKeyZDNFNVPSPLDYAO-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.74
Rot. Bonds4

About 6,10-dibenzyl-3,6,10-triaza-1-azonia-8-phosphatricyclo[7.3.0.03,7]dodeca-1(9),4,7,11-tetraene

6,10-dibenzyl-3,6,10-triaza-1-azonia-8-phosphatricyclo[7.3.0.03,7]dodeca-1(9),4,7,11-tetraene (PubChem CID 139186156) has the molecular formula C21H20N4P+ and a molecular weight of 359.39 g/mol. Its IUPAC name is 6,10-dibenzyl-3,6,10-triaza-1-azonia-8-phosphatricyclo[7.3.0.03,7]dodeca-1(9),4,7,11-tetraene.

Molecular Properties

Compound Name6,10-dibenzyl-3,6,10-triaza-1-azonia-8-phosphatricyclo[7.3.0.03,7]dodeca-1(9),4,7,11-tetraene
PubChem CID139186156
Molecular FormulaC21H20N4P+
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name6,10-dibenzyl-3,6,10-triaza-1-azonia-8-phosphatricyclo[7.3.0.03,7]dodeca-1(9),4,7,11-tetraene
SMILESC1=CN2C[n+]3ccn(Cc4ccccc4)c3P=C2N1Cc1ccccc1
InChIInChI=1S/C21H20N4P/c1-3-7-18(8-4-1)15-22-11-13-24-17-25-14-12-23(21(25)26-20(22)24)16-19-9-5-2-6-10-19/h1-14H,15-17H2/q+1
InChIKeyZDNFNVPSPLDYAO-UHFFFAOYSA-N
XLogP2.74
TPSA15.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1,2-dimethyl-3-[(4-methylphenyl)methyl]imidazol-1-ium
CID 122513788
(NE)-N-[(1-benzyl-3-methylimidazol-3-ium-2-yl)methylidene]hydroxylamine
CID 135524592
1-(1-benzyl-3-methylimidazol-3-ium-2-yl)sulfanylpropan-2-one
CID 15165857
1-benzyl-2-iodopyrrole
CID 139840262
1-benzyl-3-methyl-2-tridecylimidazol-3-ium
CID 87896771
2-benzyl-1-ethyl-3-methylimidazol-3-ium
CID 87806107
1-benzyl-2-methylimidazole
CID 158634472
1-benzyl-2-chloro-4-methylpyrrole
CID 139840309
1-benzyl-2-bromo-3-methylpyrrole
CID 139840264
bis(1-benzyl-3-methyl-2-undecylimidazol-3-ium);sulfate
CID 88833205
1-benzyl-3-ethyl-2-methylpyrrole
CID 135021751
1-benzyl-3-phenyl-2H-imidazole;dihydrobromide
CID 174997401

Frequently Asked Questions

What is the IUPAC name of 6,10-dibenzyl-3,6,10-triaza-1-azonia-8-phosphatricyclo[7.3.0.03,7]dodeca-1(9),4,7,11-tetraene?
The IUPAC name of 6,10-dibenzyl-3,6,10-triaza-1-azonia-8-phosphatricyclo[7.3.0.03,7]dodeca-1(9),4,7,11-tetraene (CID 139186156) is 6,10-dibenzyl-3,6,10-triaza-1-azonia-8-phosphatricyclo[7.3.0.03,7]dodeca-1(9),4,7,11-tetraene.
What is the SMILES notation for 6,10-dibenzyl-3,6,10-triaza-1-azonia-8-phosphatricyclo[7.3.0.03,7]dodeca-1(9),4,7,11-tetraene?
The canonical SMILES for 6,10-dibenzyl-3,6,10-triaza-1-azonia-8-phosphatricyclo[7.3.0.03,7]dodeca-1(9),4,7,11-tetraene is C1=CN2C[n+]3ccn(Cc4ccccc4)c3P=C2N1Cc1ccccc1.
What is the InChIKey of 6,10-dibenzyl-3,6,10-triaza-1-azonia-8-phosphatricyclo[7.3.0.03,7]dodeca-1(9),4,7,11-tetraene?
The InChIKey is ZDNFNVPSPLDYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4P/c1-3-7-18(8-4-1)15-22-11-13-24-17-25-14-12-23(21(25)26-20(22)24)16-19-9-5-2-6-10-19/h1-14H,15-17H2/q+1.
What are the key properties of 6,10-dibenzyl-3,6,10-triaza-1-azonia-8-phosphatricyclo[7.3.0.03,7]dodeca-1(9),4,7,11-tetraene?
6,10-dibenzyl-3,6,10-triaza-1-azonia-8-phosphatricyclo[7.3.0.03,7]dodeca-1(9),4,7,11-tetraene has a molecular weight of 359.39 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-dibenzyl-3,6,10-triaza-1-azonia-8-phosphatricyclo[7.3.0.03,7]dodeca-1(9),4,7,11-tetraene is sourced from PubChem (CID 139186156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).