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

C42H24F4N6 — CID 118521290

IUPAC2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-difluorophenyl]-3,5-difluorophenyl]-4,6-diphenyl-1,3,5-triazine
SMILESFc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(F)c1-c1c(F)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1F
InChIInChI=1S/C42H24F4N6/c43-31-21-29(41-49-37(25-13-5-1-6-14-25)47-38(50-41)26-15-7-2-8-16-26)22-32(44)35(31)36-33(45)23-30(24-34(36)46)42-51-39(27-17-9-3-10-18-27)48-40(52-42)28-19-11-4-12-20-28/h1-24H
InChIKeyQCGWWWWDGQRPCW-UHFFFAOYSA-N
MW688.69 g/mol
LogP10.28
Rot. Bonds7

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

2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-difluorophenyl]-3,5-difluorophenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 118521290) has the molecular formula C42H24F4N6 and a molecular weight of 688.69 g/mol. Its IUPAC name is 2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-difluorophenyl]-3,5-difluorophenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-difluorophenyl]-3,5-difluorophenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID118521290
Molecular FormulaC42H24F4N6
Molecular Weight688.69 g/mol
Exact Mass688.20
IUPAC Name2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-difluorophenyl]-3,5-difluorophenyl]-4,6-diphenyl-1,3,5-triazine
SMILESFc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(F)c1-c1c(F)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1F
InChIInChI=1S/C42H24F4N6/c43-31-21-29(41-49-37(25-13-5-1-6-14-25)47-38(50-41)26-15-7-2-8-16-26)22-32(44)35(31)36-33(45)23-30(24-34(36)46)42-51-39(27-17-9-3-10-18-27)48-40(52-42)28-19-11-4-12-20-28/h1-24H
InChIKeyQCGWWWWDGQRPCW-UHFFFAOYSA-N
XLogP10.28
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.69
LogP ≤ 510.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-difluorophenyl]-3,5-difluorophenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-difluorophenyl]-3,5-difluorophenyl]-4,6-diphenyl-1,3,5-triazine (CID 118521290) is 2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-difluorophenyl]-3,5-difluorophenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-difluorophenyl]-3,5-difluorophenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-difluorophenyl]-3,5-difluorophenyl]-4,6-diphenyl-1,3,5-triazine is Fc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(F)c1-c1c(F)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1F.
What is the InChIKey of 2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-difluorophenyl]-3,5-difluorophenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is QCGWWWWDGQRPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24F4N6/c43-31-21-29(41-49-37(25-13-5-1-6-14-25)47-38(50-41)26-15-7-2-8-16-26)22-32(44)35(31)36-33(45)23-30(24-34(36)46)42-51-39(27-17-9-3-10-18-27)48-40(52-42)28-19-11-4-12-20-28/h1-24H.
What are the key properties of 2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-difluorophenyl]-3,5-difluorophenyl]-4,6-diphenyl-1,3,5-triazine?
2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-difluorophenyl]-3,5-difluorophenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 688.69 g/mol, XLogP of 10.28, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-difluorophenyl]-3,5-difluorophenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 118521290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).