1,3,5-triphenyl-1,3,5-triazinane

C21H21N3 — CID 7065

IUPAC1,3,5-triphenyl-1,3,5-triazinane
SMILESc1ccc(N2CN(c3ccccc3)CN(c3ccccc3)C2)cc1
InChIInChI=1S/C21H21N3/c1-4-10-19(11-5-1)22-16-23(20-12-6-2-7-13-20)18-24(17-22)21-14-8-3-9-15-21/h1-15H,16-18H2
InChIKeyVASMRQAVWVVDPA-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.39
Rot. Bonds3

About 1,3,5-triphenyl-1,3,5-triazinane

1,3,5-triphenyl-1,3,5-triazinane (PubChem CID 7065) has the molecular formula C21H21N3 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1,3,5-triphenyl-1,3,5-triazinane.

Molecular Properties

Compound Name1,3,5-triphenyl-1,3,5-triazinane
PubChem CID7065
Molecular FormulaC21H21N3
Molecular Weight315.42 g/mol
Exact Mass315.17
IUPAC Name1,3,5-triphenyl-1,3,5-triazinane
SMILESc1ccc(N2CN(c3ccccc3)CN(c3ccccc3)C2)cc1
InChIInChI=1S/C21H21N3/c1-4-10-19(11-5-1)22-16-23(20-12-6-2-7-13-20)18-24(17-22)21-14-8-3-9-15-21/h1-15H,16-18H2
InChIKeyVASMRQAVWVVDPA-UHFFFAOYSA-N
XLogP4.39
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-triphenyl-1,3,5-triazinane?
The IUPAC name of 1,3,5-triphenyl-1,3,5-triazinane (CID 7065) is 1,3,5-triphenyl-1,3,5-triazinane.
What is the SMILES notation for 1,3,5-triphenyl-1,3,5-triazinane?
The canonical SMILES for 1,3,5-triphenyl-1,3,5-triazinane is c1ccc(N2CN(c3ccccc3)CN(c3ccccc3)C2)cc1.
What is the InChIKey of 1,3,5-triphenyl-1,3,5-triazinane?
The InChIKey is VASMRQAVWVVDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3/c1-4-10-19(11-5-1)22-16-23(20-12-6-2-7-13-20)18-24(17-22)21-14-8-3-9-15-21/h1-15H,16-18H2.
What are the key properties of 1,3,5-triphenyl-1,3,5-triazinane?
1,3,5-triphenyl-1,3,5-triazinane has a molecular weight of 315.42 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triphenyl-1,3,5-triazinane is sourced from PubChem (CID 7065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).