2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-fluorophenyl]-4,6-diphenyl-1,3,5-triazine

C36H23FN6 — CID 152939356

IUPAC2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-fluorophenyl]-4,6-diphenyl-1,3,5-triazine
SMILESFc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C36H23FN6/c37-30-23-28(35-40-31(24-13-5-1-6-14-24)38-32(41-35)25-15-7-2-8-16-25)21-22-29(30)36-42-33(26-17-9-3-10-18-26)39-34(43-36)27-19-11-4-12-20-27/h1-23H
InChIKeyUMMQOAHRDUNQTD-UHFFFAOYSA-N
MW558.62 g/mol
LogP8.20
Rot. Bonds6

About 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-fluorophenyl]-4,6-diphenyl-1,3,5-triazine

2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-fluorophenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 152939356) has the molecular formula C36H23FN6 and a molecular weight of 558.62 g/mol. Its IUPAC name is 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-fluorophenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-fluorophenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID152939356
Molecular FormulaC36H23FN6
Molecular Weight558.62 g/mol
Exact Mass558.20
IUPAC Name2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-fluorophenyl]-4,6-diphenyl-1,3,5-triazine
SMILESFc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C36H23FN6/c37-30-23-28(35-40-31(24-13-5-1-6-14-24)38-32(41-35)25-15-7-2-8-16-25)21-22-29(30)36-42-33(26-17-9-3-10-18-26)39-34(43-36)27-19-11-4-12-20-27/h1-23H
InChIKeyUMMQOAHRDUNQTD-UHFFFAOYSA-N
XLogP8.20
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.62
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-fluorophenyl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

Kyaphenine
CID 10305
2,4,6-Tris(4-methylphenyl)-1,3,5-triazine
CID 23182
Tris-biphenyl triazine
CID 11628027
2-Chloro-4,6-di-p-tolyl-1,3,5-triazine
CID 30851
2-(4-Fluorophenyl)-4,6-diphenyl-1,3,5-triazine
CID 15850059
2,4-Bis(4-biphenylyl)-6-chloro-1,3,5-triazine
CID 22476006
2,4,6-Tris(3-(diphenylphosphinyl)phenyl)-1,3,5-triazine
CID 101887700
2,4,6-Tris(4-ethynylphenyl)-1,3,5-triazine
CID 102510553
2-Phenyl-4,6-bis(3-(triphenylsilyl)phenyl)-1,3,5-triazine
CID 155622091
6-[4-(4,6-Diamino-1,3,5-triazin-2-yl)phenyl]-1,3,5-triazine-2,4-diamine
CID 1910750
2-Trifluoromethyl-4,6-diphenyl-1,3,5-triazine
CID 12535292
2,4,6-Tris(4-fluorophenyl)-1,3,5-triazine
CID 58752538

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-fluorophenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-fluorophenyl]-4,6-diphenyl-1,3,5-triazine (CID 152939356) is 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-fluorophenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-fluorophenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-fluorophenyl]-4,6-diphenyl-1,3,5-triazine is Fc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-fluorophenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is UMMQOAHRDUNQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23FN6/c37-30-23-28(35-40-31(24-13-5-1-6-14-24)38-32(41-35)25-15-7-2-8-16-25)21-22-29(30)36-42-33(26-17-9-3-10-18-26)39-34(43-36)27-19-11-4-12-20-27/h1-23H.
What are the key properties of 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-fluorophenyl]-4,6-diphenyl-1,3,5-triazine?
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-fluorophenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 558.62 g/mol, XLogP of 8.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-fluorophenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 152939356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).