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

C42H20F8N6 — CID 118521302

IUPAC2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-diphenyl-1,3,5-triazine
SMILESFc1c(F)c(-c2c(F)c(F)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(F)c2F)c(F)c(F)c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C42H20F8N6/c43-29-25(30(44)34(48)27(33(29)47)41-53-37(21-13-5-1-6-14-21)51-38(54-41)22-15-7-2-8-16-22)26-31(45)35(49)28(36(50)32(26)46)42-55-39(23-17-9-3-10-18-23)52-40(56-42)24-19-11-4-12-20-24/h1-20H
InChIKeyQBYDSCMDCIIVSV-UHFFFAOYSA-N
MW760.65 g/mol
LogP10.84
Rot. Bonds7

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

2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 118521302) has the molecular formula C42H20F8N6 and a molecular weight of 760.65 g/mol. Its IUPAC name is 2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID118521302
Molecular FormulaC42H20F8N6
Molecular Weight760.65 g/mol
Exact Mass760.16
IUPAC Name2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-diphenyl-1,3,5-triazine
SMILESFc1c(F)c(-c2c(F)c(F)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(F)c2F)c(F)c(F)c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C42H20F8N6/c43-29-25(30(44)34(48)27(33(29)47)41-53-37(21-13-5-1-6-14-21)51-38(54-41)22-15-7-2-8-16-22)26-31(45)35(49)28(36(50)32(26)46)42-55-39(23-17-9-3-10-18-23)52-40(56-42)24-19-11-4-12-20-24/h1-20H
InChIKeyQBYDSCMDCIIVSV-UHFFFAOYSA-N
XLogP10.84
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.65
LogP ≤ 510.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-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)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-diphenyl-1,3,5-triazine (CID 118521302) is 2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-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)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-diphenyl-1,3,5-triazine is Fc1c(F)c(-c2c(F)c(F)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(F)c2F)c(F)c(F)c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is QBYDSCMDCIIVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H20F8N6/c43-29-25(30(44)34(48)27(33(29)47)41-53-37(21-13-5-1-6-14-21)51-38(54-41)22-15-7-2-8-16-22)26-31(45)35(49)28(36(50)32(26)46)42-55-39(23-17-9-3-10-18-23)52-40(56-42)24-19-11-4-12-20-24/h1-20H.
What are the key properties of 2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-diphenyl-1,3,5-triazine?
2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 760.65 g/mol, XLogP of 10.84, 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)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 118521302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).