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

C33H20F2N4 — CID 134271777

IUPAC2-(9,9-difluoro-6-pyridin-3-ylfluoren-3-yl)-4,6-diphenyl-1,3,5-triazine
SMILESFC1(F)c2ccc(-c3cccnc3)cc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C33H20F2N4/c34-33(35)28-15-13-23(25-12-7-17-36-20-25)18-26(28)27-19-24(14-16-29(27)33)32-38-30(21-8-3-1-4-9-21)37-31(39-32)22-10-5-2-6-11-22/h1-20H
InChIKeyVRNSOKIQFJWGKF-UHFFFAOYSA-N
MW510.55 g/mol
LogP8.06
Rot. Bonds4

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

2-(9,9-difluoro-6-pyridin-3-ylfluoren-3-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 134271777) has the molecular formula C33H20F2N4 and a molecular weight of 510.55 g/mol. Its IUPAC name is 2-(9,9-difluoro-6-pyridin-3-ylfluoren-3-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,9-difluoro-6-pyridin-3-ylfluoren-3-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID134271777
Molecular FormulaC33H20F2N4
Molecular Weight510.55 g/mol
Exact Mass510.17
IUPAC Name2-(9,9-difluoro-6-pyridin-3-ylfluoren-3-yl)-4,6-diphenyl-1,3,5-triazine
SMILESFC1(F)c2ccc(-c3cccnc3)cc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C33H20F2N4/c34-33(35)28-15-13-23(25-12-7-17-36-20-25)18-26(28)27-19-24(14-16-29(27)33)32-38-30(21-8-3-1-4-9-21)37-31(39-32)22-10-5-2-6-11-22/h1-20H
InChIKeyVRNSOKIQFJWGKF-UHFFFAOYSA-N
XLogP8.06
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.55
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(9,9-difluoro-6-pyridin-3-ylfluoren-3-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(9,9-difluoro-6-pyridin-3-ylfluoren-3-yl)-4,6-diphenyl-1,3,5-triazine (CID 134271777) is 2-(9,9-difluoro-6-pyridin-3-ylfluoren-3-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(9,9-difluoro-6-pyridin-3-ylfluoren-3-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(9,9-difluoro-6-pyridin-3-ylfluoren-3-yl)-4,6-diphenyl-1,3,5-triazine is FC1(F)c2ccc(-c3cccnc3)cc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21.
What is the InChIKey of 2-(9,9-difluoro-6-pyridin-3-ylfluoren-3-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is VRNSOKIQFJWGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20F2N4/c34-33(35)28-15-13-23(25-12-7-17-36-20-25)18-26(28)27-19-24(14-16-29(27)33)32-38-30(21-8-3-1-4-9-21)37-31(39-32)22-10-5-2-6-11-22/h1-20H.
What are the key properties of 2-(9,9-difluoro-6-pyridin-3-ylfluoren-3-yl)-4,6-diphenyl-1,3,5-triazine?
2-(9,9-difluoro-6-pyridin-3-ylfluoren-3-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 510.55 g/mol, XLogP of 8.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-difluoro-6-pyridin-3-ylfluoren-3-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 134271777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).