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

C34H12F8N6O4 — CID 118521292

IUPAC2-[4-[4-[4,6-bis(furan-2-yl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis(furan-2-yl)-1,3,5-triazine
SMILESFc1c(F)c(-c2c(F)c(F)c(-c3nc(-c4ccco4)nc(-c4ccco4)n3)c(F)c2F)c(F)c(F)c1-c1nc(-c2ccco2)nc(-c2ccco2)n1
InChIInChI=1S/C34H12F8N6O4/c35-21-17(22(36)26(40)19(25(21)39)33-45-29(13-5-1-9-49-13)43-30(46-33)14-6-2-10-50-14)18-23(37)27(41)20(28(42)24(18)38)34-47-31(15-7-3-11-51-15)44-32(48-34)16-8-4-12-52-16/h1-12H
InChIKeyAMQSQJKGISEMHT-UHFFFAOYSA-N
MW720.49 g/mol
LogP9.21
Rot. Bonds7

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

2-[4-[4-[4,6-bis(furan-2-yl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis(furan-2-yl)-1,3,5-triazine (PubChem CID 118521292) has the molecular formula C34H12F8N6O4 and a molecular weight of 720.49 g/mol. Its IUPAC name is 2-[4-[4-[4,6-bis(furan-2-yl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis(furan-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[4-[4,6-bis(furan-2-yl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis(furan-2-yl)-1,3,5-triazine
PubChem CID118521292
Molecular FormulaC34H12F8N6O4
Molecular Weight720.49 g/mol
Exact Mass720.08
IUPAC Name2-[4-[4-[4,6-bis(furan-2-yl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis(furan-2-yl)-1,3,5-triazine
SMILESFc1c(F)c(-c2c(F)c(F)c(-c3nc(-c4ccco4)nc(-c4ccco4)n3)c(F)c2F)c(F)c(F)c1-c1nc(-c2ccco2)nc(-c2ccco2)n1
InChIInChI=1S/C34H12F8N6O4/c35-21-17(22(36)26(40)19(25(21)39)33-45-29(13-5-1-9-49-13)43-30(46-33)14-6-2-10-50-14)18-23(37)27(41)20(28(42)24(18)38)34-47-31(15-7-3-11-51-15)44-32(48-34)16-8-4-12-52-16/h1-12H
InChIKeyAMQSQJKGISEMHT-UHFFFAOYSA-N
XLogP9.21
TPSA129.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.49
LogP ≤ 59.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4,6-bis(furan-2-yl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis(furan-2-yl)-1,3,5-triazine?
The IUPAC name of 2-[4-[4-[4,6-bis(furan-2-yl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis(furan-2-yl)-1,3,5-triazine (CID 118521292) is 2-[4-[4-[4,6-bis(furan-2-yl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis(furan-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2-[4-[4-[4,6-bis(furan-2-yl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis(furan-2-yl)-1,3,5-triazine?
The canonical SMILES for 2-[4-[4-[4,6-bis(furan-2-yl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis(furan-2-yl)-1,3,5-triazine is Fc1c(F)c(-c2c(F)c(F)c(-c3nc(-c4ccco4)nc(-c4ccco4)n3)c(F)c2F)c(F)c(F)c1-c1nc(-c2ccco2)nc(-c2ccco2)n1.
What is the InChIKey of 2-[4-[4-[4,6-bis(furan-2-yl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis(furan-2-yl)-1,3,5-triazine?
The InChIKey is AMQSQJKGISEMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H12F8N6O4/c35-21-17(22(36)26(40)19(25(21)39)33-45-29(13-5-1-9-49-13)43-30(46-33)14-6-2-10-50-14)18-23(37)27(41)20(28(42)24(18)38)34-47-31(15-7-3-11-51-15)44-32(48-34)16-8-4-12-52-16/h1-12H.
What are the key properties of 2-[4-[4-[4,6-bis(furan-2-yl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis(furan-2-yl)-1,3,5-triazine?
2-[4-[4-[4,6-bis(furan-2-yl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis(furan-2-yl)-1,3,5-triazine has a molecular weight of 720.49 g/mol, XLogP of 9.21, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[4,6-bis(furan-2-yl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis(furan-2-yl)-1,3,5-triazine is sourced from PubChem (CID 118521292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).