2-(9,9-difluoro-6-pyrimidin-2-ylfluoren-3-yl)-4,6-diphenyl-1,3,5-triazine

C32H19F2N5 — CID 134271780

IUPAC2-(9,9-difluoro-6-pyrimidin-2-ylfluoren-3-yl)-4,6-diphenyl-1,3,5-triazine
SMILESFC1(F)c2ccc(-c3ncccn3)cc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C32H19F2N5/c33-32(34)26-14-12-22(28-35-16-7-17-36-28)18-24(26)25-19-23(13-15-27(25)32)31-38-29(20-8-3-1-4-9-20)37-30(39-31)21-10-5-2-6-11-21/h1-19H
InChIKeyJUOQMYSXHQVWLN-UHFFFAOYSA-N
MW511.54 g/mol
LogP7.45
Rot. Bonds4

About 2-(9,9-difluoro-6-pyrimidin-2-ylfluoren-3-yl)-4,6-diphenyl-1,3,5-triazine

2-(9,9-difluoro-6-pyrimidin-2-ylfluoren-3-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 134271780) has the molecular formula C32H19F2N5 and a molecular weight of 511.54 g/mol. Its IUPAC name is 2-(9,9-difluoro-6-pyrimidin-2-ylfluoren-3-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,9-difluoro-6-pyrimidin-2-ylfluoren-3-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID134271780
Molecular FormulaC32H19F2N5
Molecular Weight511.54 g/mol
Exact Mass511.16
IUPAC Name2-(9,9-difluoro-6-pyrimidin-2-ylfluoren-3-yl)-4,6-diphenyl-1,3,5-triazine
SMILESFC1(F)c2ccc(-c3ncccn3)cc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C32H19F2N5/c33-32(34)26-14-12-22(28-35-16-7-17-36-28)18-24(26)25-19-23(13-15-27(25)32)31-38-29(20-8-3-1-4-9-20)37-30(39-31)21-10-5-2-6-11-21/h1-19H
InChIKeyJUOQMYSXHQVWLN-UHFFFAOYSA-N
XLogP7.45
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.54
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(9,9-difluoro-6-pyrimidin-2-ylfluoren-3-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(9,9-difluoro-6-pyrimidin-2-ylfluoren-3-yl)-4,6-diphenyl-1,3,5-triazine (CID 134271780) is 2-(9,9-difluoro-6-pyrimidin-2-ylfluoren-3-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(9,9-difluoro-6-pyrimidin-2-ylfluoren-3-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(9,9-difluoro-6-pyrimidin-2-ylfluoren-3-yl)-4,6-diphenyl-1,3,5-triazine is FC1(F)c2ccc(-c3ncccn3)cc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21.
What is the InChIKey of 2-(9,9-difluoro-6-pyrimidin-2-ylfluoren-3-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is JUOQMYSXHQVWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19F2N5/c33-32(34)26-14-12-22(28-35-16-7-17-36-28)18-24(26)25-19-23(13-15-27(25)32)31-38-29(20-8-3-1-4-9-20)37-30(39-31)21-10-5-2-6-11-21/h1-19H.
What are the key properties of 2-(9,9-difluoro-6-pyrimidin-2-ylfluoren-3-yl)-4,6-diphenyl-1,3,5-triazine?
2-(9,9-difluoro-6-pyrimidin-2-ylfluoren-3-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 511.54 g/mol, XLogP of 7.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-difluoro-6-pyrimidin-2-ylfluoren-3-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 134271780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).