2,4-bis(phenylmethyl)-6-propan-2-yl-1,3,5-triazine;bis(yttrium)

C20H19N3Y2-2 — CID 162068899

IUPAC2,4-bis(phenylmethyl)-6-propan-2-yl-1,3,5-triazine;bis(yttrium)
SMILESCC(C)c1nc(Cc2cc[c-]cc2)nc(Cc2cc[c-]cc2)n1.[Y].[Y]
InChIInChI=1S/C20H19N3.2Y/c1-15(2)20-22-18(13-16-9-5-3-6-10-16)21-19(23-20)14-17-11-7-4-8-12-17;;/h5-12,15H,13-14H2,1-2H3;;/q-2;;
InChIKeyZCSQABIRECGRFV-UHFFFAOYSA-N
MW479.21 g/mol
LogP3.77
Rot. Bonds5

About 2,4-bis(phenylmethyl)-6-propan-2-yl-1,3,5-triazine;bis(yttrium)

2,4-bis(phenylmethyl)-6-propan-2-yl-1,3,5-triazine;bis(yttrium) (PubChem CID 162068899) has the molecular formula C20H19N3Y2-2 and a molecular weight of 479.21 g/mol. Its IUPAC name is 2,4-bis(phenylmethyl)-6-propan-2-yl-1,3,5-triazine;bis(yttrium).

Molecular Properties

Compound Name2,4-bis(phenylmethyl)-6-propan-2-yl-1,3,5-triazine;bis(yttrium)
PubChem CID162068899
Molecular FormulaC20H19N3Y2-2
Molecular Weight479.21 g/mol
Exact Mass478.97
IUPAC Name2,4-bis(phenylmethyl)-6-propan-2-yl-1,3,5-triazine;bis(yttrium)
SMILESCC(C)c1nc(Cc2cc[c-]cc2)nc(Cc2cc[c-]cc2)n1.[Y].[Y]
InChIInChI=1S/C20H19N3.2Y/c1-15(2)20-22-18(13-16-9-5-3-6-10-16)21-19(23-20)14-17-11-7-4-8-12-17;;/h5-12,15H,13-14H2,1-2H3;;/q-2;;
InChIKeyZCSQABIRECGRFV-UHFFFAOYSA-N
XLogP3.77
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.21
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 70020317
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CID 88943138
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CID 123394077
CID 123394077
CID 126728123
CID 126728123
CID 129191079
CID 129191079
CID 130312830
CID 130312830
CID 131969772
CID 131969772
CID 144596640
CID 144596640
CID 144597054
CID 144597054
CID 144788365
CID 144788365

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(phenylmethyl)-6-propan-2-yl-1,3,5-triazine;bis(yttrium)?
The IUPAC name of 2,4-bis(phenylmethyl)-6-propan-2-yl-1,3,5-triazine;bis(yttrium) (CID 162068899) is 2,4-bis(phenylmethyl)-6-propan-2-yl-1,3,5-triazine;bis(yttrium).
What is the SMILES notation for 2,4-bis(phenylmethyl)-6-propan-2-yl-1,3,5-triazine;bis(yttrium)?
The canonical SMILES for 2,4-bis(phenylmethyl)-6-propan-2-yl-1,3,5-triazine;bis(yttrium) is CC(C)c1nc(Cc2cc[c-]cc2)nc(Cc2cc[c-]cc2)n1.[Y].[Y].
What is the InChIKey of 2,4-bis(phenylmethyl)-6-propan-2-yl-1,3,5-triazine;bis(yttrium)?
The InChIKey is ZCSQABIRECGRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3.2Y/c1-15(2)20-22-18(13-16-9-5-3-6-10-16)21-19(23-20)14-17-11-7-4-8-12-17;;/h5-12,15H,13-14H2,1-2H3;;/q-2;;.
What are the key properties of 2,4-bis(phenylmethyl)-6-propan-2-yl-1,3,5-triazine;bis(yttrium)?
2,4-bis(phenylmethyl)-6-propan-2-yl-1,3,5-triazine;bis(yttrium) has a molecular weight of 479.21 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(phenylmethyl)-6-propan-2-yl-1,3,5-triazine;bis(yttrium) is sourced from PubChem (CID 162068899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).