2-phenyl-4-[4-[1-phenyl-1-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]ethyl]phenyl]-6-pyridin-2-yl-1,3,5-triazine

C48H34N8 — CID 121315561

IUPAC2-phenyl-4-[4-[1-phenyl-1-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]ethyl]phenyl]-6-pyridin-2-yl-1,3,5-triazine
SMILESCC(c1ccccc1)(c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccn3)n2)cc1)c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccn3)n2)cc1
InChIInChI=1S/C48H34N8/c1-48(37-19-9-4-10-20-37,38-27-23-35(24-28-38)44-51-42(33-15-5-2-6-16-33)53-46(55-44)40-21-11-13-31-49-40)39-29-25-36(26-30-39)45-52-43(34-17-7-3-8-18-34)54-47(56-45)41-22-12-14-32-50-41/h2-32H,1H3
InChIKeyLTHTZVTVABPROG-UHFFFAOYSA-N
MW722.86 g/mol
LogP10.20
Rot. Bonds9

About 2-phenyl-4-[4-[1-phenyl-1-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]ethyl]phenyl]-6-pyridin-2-yl-1,3,5-triazine

2-phenyl-4-[4-[1-phenyl-1-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]ethyl]phenyl]-6-pyridin-2-yl-1,3,5-triazine (PubChem CID 121315561) has the molecular formula C48H34N8 and a molecular weight of 722.86 g/mol. Its IUPAC name is 2-phenyl-4-[4-[1-phenyl-1-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]ethyl]phenyl]-6-pyridin-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-[4-[1-phenyl-1-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]ethyl]phenyl]-6-pyridin-2-yl-1,3,5-triazine
PubChem CID121315561
Molecular FormulaC48H34N8
Molecular Weight722.86 g/mol
Exact Mass722.29
IUPAC Name2-phenyl-4-[4-[1-phenyl-1-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]ethyl]phenyl]-6-pyridin-2-yl-1,3,5-triazine
SMILESCC(c1ccccc1)(c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccn3)n2)cc1)c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccn3)n2)cc1
InChIInChI=1S/C48H34N8/c1-48(37-19-9-4-10-20-37,38-27-23-35(24-28-38)44-51-42(33-15-5-2-6-16-33)53-46(55-44)40-21-11-13-31-49-40)39-29-25-36(26-30-39)45-52-43(34-17-7-3-8-18-34)54-47(56-45)41-22-12-14-32-50-41/h2-32H,1H3
InChIKeyLTHTZVTVABPROG-UHFFFAOYSA-N
XLogP10.20
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.86
LogP ≤ 510.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 2-phenyl-4-[4-[1-phenyl-1-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]ethyl]phenyl]-6-pyridin-2-yl-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[4-[1-phenyl-1-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]ethyl]phenyl]-6-pyridin-2-yl-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-[4-[1-phenyl-1-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]ethyl]phenyl]-6-pyridin-2-yl-1,3,5-triazine (CID 121315561) is 2-phenyl-4-[4-[1-phenyl-1-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]ethyl]phenyl]-6-pyridin-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-[4-[1-phenyl-1-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]ethyl]phenyl]-6-pyridin-2-yl-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-[4-[1-phenyl-1-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]ethyl]phenyl]-6-pyridin-2-yl-1,3,5-triazine is CC(c1ccccc1)(c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccn3)n2)cc1)c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccn3)n2)cc1.
What is the InChIKey of 2-phenyl-4-[4-[1-phenyl-1-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]ethyl]phenyl]-6-pyridin-2-yl-1,3,5-triazine?
The InChIKey is LTHTZVTVABPROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N8/c1-48(37-19-9-4-10-20-37,38-27-23-35(24-28-38)44-51-42(33-15-5-2-6-16-33)53-46(55-44)40-21-11-13-31-49-40)39-29-25-36(26-30-39)45-52-43(34-17-7-3-8-18-34)54-47(56-45)41-22-12-14-32-50-41/h2-32H,1H3.
What are the key properties of 2-phenyl-4-[4-[1-phenyl-1-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]ethyl]phenyl]-6-pyridin-2-yl-1,3,5-triazine?
2-phenyl-4-[4-[1-phenyl-1-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]ethyl]phenyl]-6-pyridin-2-yl-1,3,5-triazine has a molecular weight of 722.86 g/mol, XLogP of 10.20, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[4-[1-phenyl-1-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]ethyl]phenyl]-6-pyridin-2-yl-1,3,5-triazine is sourced from PubChem (CID 121315561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).