1,2,2,3-tetraphenyl-1,4,7-triazonane

C30H31N3 — CID 66730191

IUPAC1,2,2,3-tetraphenyl-1,4,7-triazonane
SMILESc1ccc(C2NCCNCCN(c3ccccc3)C2(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H31N3/c1-5-13-25(14-6-1)29-30(26-15-7-2-8-16-26,27-17-9-3-10-18-27)33(24-23-31-21-22-32-29)28-19-11-4-12-20-28/h1-20,29,31-32H,21-24H2
InChIKeyGDCQUMFACFDOSB-UHFFFAOYSA-N
MW433.60 g/mol
LogP5.37
Rot. Bonds4

About 1,2,2,3-tetraphenyl-1,4,7-triazonane

1,2,2,3-tetraphenyl-1,4,7-triazonane (PubChem CID 66730191) has the molecular formula C30H31N3 and a molecular weight of 433.60 g/mol. Its IUPAC name is 1,2,2,3-tetraphenyl-1,4,7-triazonane.

Molecular Properties

Compound Name1,2,2,3-tetraphenyl-1,4,7-triazonane
PubChem CID66730191
Molecular FormulaC30H31N3
Molecular Weight433.60 g/mol
Exact Mass433.25
IUPAC Name1,2,2,3-tetraphenyl-1,4,7-triazonane
SMILESc1ccc(C2NCCNCCN(c3ccccc3)C2(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H31N3/c1-5-13-25(14-6-1)29-30(26-15-7-2-8-16-26,27-17-9-3-10-18-27)33(24-23-31-21-22-32-29)28-19-11-4-12-20-28/h1-20,29,31-32H,21-24H2
InChIKeyGDCQUMFACFDOSB-UHFFFAOYSA-N
XLogP5.37
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.60
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,3-tetraphenyl-1,4,7-triazonane?
The IUPAC name of 1,2,2,3-tetraphenyl-1,4,7-triazonane (CID 66730191) is 1,2,2,3-tetraphenyl-1,4,7-triazonane.
What is the SMILES notation for 1,2,2,3-tetraphenyl-1,4,7-triazonane?
The canonical SMILES for 1,2,2,3-tetraphenyl-1,4,7-triazonane is c1ccc(C2NCCNCCN(c3ccccc3)C2(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1,2,2,3-tetraphenyl-1,4,7-triazonane?
The InChIKey is GDCQUMFACFDOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3/c1-5-13-25(14-6-1)29-30(26-15-7-2-8-16-26,27-17-9-3-10-18-27)33(24-23-31-21-22-32-29)28-19-11-4-12-20-28/h1-20,29,31-32H,21-24H2.
What are the key properties of 1,2,2,3-tetraphenyl-1,4,7-triazonane?
1,2,2,3-tetraphenyl-1,4,7-triazonane has a molecular weight of 433.60 g/mol, XLogP of 5.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3-tetraphenyl-1,4,7-triazonane is sourced from PubChem (CID 66730191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).