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

C42H8F20N6 — CID 118521294

IUPAC2-[4-[4-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazine
SMILESFc1c(F)c(F)c(-c2nc(-c3ccc(-c4ccc(-c5nc(-c6c(F)c(F)c(F)c(F)c6F)nc(-c6c(F)c(F)c(F)c(F)c6F)n5)cc4)cc3)nc(-c3c(F)c(F)c(F)c(F)c3F)n2)c(F)c1F
InChIInChI=1S/C42H8F20N6/c43-17-13(18(44)26(52)33(59)25(17)51)39-63-37(64-40(67-39)14-19(45)27(53)34(60)28(54)20(14)46)11-5-1-9(2-6-11)10-3-7-12(8-4-10)38-65-41(15-21(47)29(55)35(61)30(56)22(15)48)68-42(66-38)16-23(49)31(57)36(62)32(58)24(16)50/h1-8H
InChIKeyQCNBBGGCLIZFAS-UHFFFAOYSA-N
MW976.53 g/mol
LogP12.51
Rot. Bonds7

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

2-[4-[4-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazine (PubChem CID 118521294) has the molecular formula C42H8F20N6 and a molecular weight of 976.53 g/mol. Its IUPAC name is 2-[4-[4-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[4-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazine
PubChem CID118521294
Molecular FormulaC42H8F20N6
Molecular Weight976.53 g/mol
Exact Mass976.05
IUPAC Name2-[4-[4-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazine
SMILESFc1c(F)c(F)c(-c2nc(-c3ccc(-c4ccc(-c5nc(-c6c(F)c(F)c(F)c(F)c6F)nc(-c6c(F)c(F)c(F)c(F)c6F)n5)cc4)cc3)nc(-c3c(F)c(F)c(F)c(F)c3F)n2)c(F)c1F
InChIInChI=1S/C42H8F20N6/c43-17-13(18(44)26(52)33(59)25(17)51)39-63-37(64-40(67-39)14-19(45)27(53)34(60)28(54)20(14)46)11-5-1-9(2-6-11)10-3-7-12(8-4-10)38-65-41(15-21(47)29(55)35(61)30(56)22(15)48)68-42(66-38)16-23(49)31(57)36(62)32(58)24(16)50/h1-8H
InChIKeyQCNBBGGCLIZFAS-UHFFFAOYSA-N
XLogP12.51
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500976.53
LogP ≤ 512.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazine?
The IUPAC name of 2-[4-[4-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazine (CID 118521294) is 2-[4-[4-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[4-[4-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazine?
The canonical SMILES for 2-[4-[4-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazine is Fc1c(F)c(F)c(-c2nc(-c3ccc(-c4ccc(-c5nc(-c6c(F)c(F)c(F)c(F)c6F)nc(-c6c(F)c(F)c(F)c(F)c6F)n5)cc4)cc3)nc(-c3c(F)c(F)c(F)c(F)c3F)n2)c(F)c1F.
What is the InChIKey of 2-[4-[4-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazine?
The InChIKey is QCNBBGGCLIZFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H8F20N6/c43-17-13(18(44)26(52)33(59)25(17)51)39-63-37(64-40(67-39)14-19(45)27(53)34(60)28(54)20(14)46)11-5-1-9(2-6-11)10-3-7-12(8-4-10)38-65-41(15-21(47)29(55)35(61)30(56)22(15)48)68-42(66-38)16-23(49)31(57)36(62)32(58)24(16)50/h1-8H.
What are the key properties of 2-[4-[4-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazine?
2-[4-[4-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazine has a molecular weight of 976.53 g/mol, XLogP of 12.51, 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-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazine is sourced from PubChem (CID 118521294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).