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

C42H26F2N6 — CID 158147513

IUPAC2-[4-[4-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESFc1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3)n2)cc1
InChIInChI=1S/C42H26F2N6/c43-35-23-19-33(20-24-35)41-48-40(49-42(50-41)34-21-25-36(44)26-22-34)32-17-13-28(14-18-32)27-11-15-31(16-12-27)39-46-37(29-7-3-1-4-8-29)45-38(47-39)30-9-5-2-6-10-30/h1-26H
InChIKeyBWVCUOIRUUOCLR-UHFFFAOYSA-N
MW652.71 g/mol
LogP10.00
Rot. Bonds7

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

2-[4-[4-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 158147513) has the molecular formula C42H26F2N6 and a molecular weight of 652.71 g/mol. Its IUPAC name is 2-[4-[4-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[4-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID158147513
Molecular FormulaC42H26F2N6
Molecular Weight652.71 g/mol
Exact Mass652.22
IUPAC Name2-[4-[4-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESFc1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3)n2)cc1
InChIInChI=1S/C42H26F2N6/c43-35-23-19-33(20-24-35)41-48-40(49-42(50-41)34-21-25-36(44)26-22-34)32-17-13-28(14-18-32)27-11-15-31(16-12-27)39-46-37(29-7-3-1-4-8-29)45-38(47-39)30-9-5-2-6-10-30/h1-26H
InChIKeyBWVCUOIRUUOCLR-UHFFFAOYSA-N
XLogP10.00
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.71
LogP ≤ 510.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[4-[4-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 158147513) is 2-[4-[4-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-[4-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-[4-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is Fc1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3)n2)cc1.
What is the InChIKey of 2-[4-[4-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is BWVCUOIRUUOCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26F2N6/c43-35-23-19-33(20-24-35)41-48-40(49-42(50-41)34-21-25-36(44)26-22-34)32-17-13-28(14-18-32)27-11-15-31(16-12-27)39-46-37(29-7-3-1-4-8-29)45-38(47-39)30-9-5-2-6-10-30/h1-26H.
What are the key properties of 2-[4-[4-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[4-[4-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 652.71 g/mol, XLogP of 10.00, 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(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 158147513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).