2-ethynyl-4,6-diphenyl-1,3,5-triazine

C17H11N3 — CID 146852483

IUPAC2-ethynyl-4,6-diphenyl-1,3,5-triazine
SMILESC#Cc1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C17H11N3/c1-2-15-18-16(13-9-5-3-6-10-13)20-17(19-15)14-11-7-4-8-12-14/h1,3-12H
InChIKeySIYARRFERPKVQB-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.19
Rot. Bonds2

About 2-ethynyl-4,6-diphenyl-1,3,5-triazine

2-ethynyl-4,6-diphenyl-1,3,5-triazine (PubChem CID 146852483) has the molecular formula C17H11N3 and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-ethynyl-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-ethynyl-4,6-diphenyl-1,3,5-triazine
PubChem CID146852483
Molecular FormulaC17H11N3
Molecular Weight257.30 g/mol
Exact Mass257.10
IUPAC Name2-ethynyl-4,6-diphenyl-1,3,5-triazine
SMILESC#Cc1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C17H11N3/c1-2-15-18-16(13-9-5-3-6-10-13)20-17(19-15)14-11-7-4-8-12-14/h1,3-12H
InChIKeySIYARRFERPKVQB-UHFFFAOYSA-N
XLogP3.19
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 139271713
2-[4-[3-(3,5-diphenylphenyl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58943623
2-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58943296
2,4-diphenyl-6-[3-[3-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 157466607
2,4-bis[4-(3-phenylphenyl)phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 166571194
2-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 157455231
2,4-diphenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 121311668
2-phenyl-4-(3-phenylphenyl)-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 122606669
2-cyclopropyl-4,6-diphenyl-1,3,5-triazine
CID 135273812
1,1'-biphenyl;ethynylphosphane
CID 159292728
4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzonitrile
CID 155476468
2-(2,5-diphenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171052509

Frequently Asked Questions

What is the IUPAC name of 2-ethynyl-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-ethynyl-4,6-diphenyl-1,3,5-triazine (CID 146852483) is 2-ethynyl-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-ethynyl-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-ethynyl-4,6-diphenyl-1,3,5-triazine is C#Cc1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 2-ethynyl-4,6-diphenyl-1,3,5-triazine?
The InChIKey is SIYARRFERPKVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3/c1-2-15-18-16(13-9-5-3-6-10-13)20-17(19-15)14-11-7-4-8-12-14/h1,3-12H.
What are the key properties of 2-ethynyl-4,6-diphenyl-1,3,5-triazine?
2-ethynyl-4,6-diphenyl-1,3,5-triazine has a molecular weight of 257.30 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynyl-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 146852483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).