2-[6-(4,6-dipyridin-2-yl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine

C43H26F2N6 — CID 134271785

IUPAC2-[6-(4,6-dipyridin-2-yl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine
SMILESFC1(F)c2ccc(-c3cc(-c4ccccn4)cc(-c4ccccn4)n3)cc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C43H26F2N6/c44-43(45)34-19-17-29(38-25-31(36-15-7-9-21-46-36)26-39(48-38)37-16-8-10-22-47-37)23-32(34)33-24-30(18-20-35(33)43)42-50-40(27-11-3-1-4-12-27)49-41(51-42)28-13-5-2-6-14-28/h1-26H
InChIKeyZNAIFXPNEPSEKU-UHFFFAOYSA-N
MW664.72 g/mol
LogP10.18
Rot. Bonds6

About 2-[6-(4,6-dipyridin-2-yl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine

2-[6-(4,6-dipyridin-2-yl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 134271785) has the molecular formula C43H26F2N6 and a molecular weight of 664.72 g/mol. Its IUPAC name is 2-[6-(4,6-dipyridin-2-yl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[6-(4,6-dipyridin-2-yl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID134271785
Molecular FormulaC43H26F2N6
Molecular Weight664.72 g/mol
Exact Mass664.22
IUPAC Name2-[6-(4,6-dipyridin-2-yl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine
SMILESFC1(F)c2ccc(-c3cc(-c4ccccn4)cc(-c4ccccn4)n3)cc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C43H26F2N6/c44-43(45)34-19-17-29(38-25-31(36-15-7-9-21-46-36)26-39(48-38)37-16-8-10-22-47-37)23-32(34)33-24-30(18-20-35(33)43)42-50-40(27-11-3-1-4-12-27)49-41(51-42)28-13-5-2-6-14-28/h1-26H
InChIKeyZNAIFXPNEPSEKU-UHFFFAOYSA-N
XLogP10.18
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.72
LogP ≤ 510.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4,6-dipyridin-2-yl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[6-(4,6-dipyridin-2-yl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine (CID 134271785) is 2-[6-(4,6-dipyridin-2-yl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[6-(4,6-dipyridin-2-yl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[6-(4,6-dipyridin-2-yl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine is FC1(F)c2ccc(-c3cc(-c4ccccn4)cc(-c4ccccn4)n3)cc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21.
What is the InChIKey of 2-[6-(4,6-dipyridin-2-yl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is ZNAIFXPNEPSEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26F2N6/c44-43(45)34-19-17-29(38-25-31(36-15-7-9-21-46-36)26-39(48-38)37-16-8-10-22-47-37)23-32(34)33-24-30(18-20-35(33)43)42-50-40(27-11-3-1-4-12-27)49-41(51-42)28-13-5-2-6-14-28/h1-26H.
What are the key properties of 2-[6-(4,6-dipyridin-2-yl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine?
2-[6-(4,6-dipyridin-2-yl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 664.72 g/mol, XLogP of 10.18, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4,6-dipyridin-2-yl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 134271785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).