2-(9,9-difluoro-6-pyridin-3-ylfluoren-3-yl)-4-[3-[2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-4-pyridinyl]phenyl]-6-phenyl-1,3,5-triazine

C66H38F4N8 — CID 134274451

IUPAC2-(9,9-difluoro-6-pyridin-3-ylfluoren-3-yl)-4-[3-[2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-4-pyridinyl]phenyl]-6-phenyl-1,3,5-triazine
SMILESFC1(F)c2ccc(-c3cccnc3)cc2-c2cc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccnc(-c6ccc7c(c6)-c6cc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)ccc6C7(F)F)c5)c4)n3)ccc21
InChIInChI=1S/C66H38F4N8/c67-65(68)54-25-21-43(49-20-11-30-71-38-49)33-50(54)52-35-48(24-27-56(52)65)64-77-61(41-16-8-3-9-17-41)74-62(78-64)46-19-10-18-42(32-46)44-29-31-72-58(37-44)45-22-26-55-51(34-45)53-36-47(23-28-57(53)66(55,69)70)63-75-59(39-12-4-1-5-13-39)73-60(76-63)40-14-6-2-7-15-40/h1-38H
InChIKeyKFZSJLJSESRKOV-UHFFFAOYSA-N
MW1019.08 g/mol
LogP16.09
Rot. Bonds9

About 2-(9,9-difluoro-6-pyridin-3-ylfluoren-3-yl)-4-[3-[2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-4-pyridinyl]phenyl]-6-phenyl-1,3,5-triazine

2-(9,9-difluoro-6-pyridin-3-ylfluoren-3-yl)-4-[3-[2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-4-pyridinyl]phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 134274451) has the molecular formula C66H38F4N8 and a molecular weight of 1019.08 g/mol. Its IUPAC name is 2-(9,9-difluoro-6-pyridin-3-ylfluoren-3-yl)-4-[3-[2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-4-pyridinyl]phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,9-difluoro-6-pyridin-3-ylfluoren-3-yl)-4-[3-[2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-4-pyridinyl]phenyl]-6-phenyl-1,3,5-triazine
PubChem CID134274451
Molecular FormulaC66H38F4N8
Molecular Weight1019.08 g/mol
Exact Mass1018.32
IUPAC Name2-(9,9-difluoro-6-pyridin-3-ylfluoren-3-yl)-4-[3-[2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-4-pyridinyl]phenyl]-6-phenyl-1,3,5-triazine
SMILESFC1(F)c2ccc(-c3cccnc3)cc2-c2cc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccnc(-c6ccc7c(c6)-c6cc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)ccc6C7(F)F)c5)c4)n3)ccc21
InChIInChI=1S/C66H38F4N8/c67-65(68)54-25-21-43(49-20-11-30-71-38-49)33-50(54)52-35-48(24-27-56(52)65)64-77-61(41-16-8-3-9-17-41)74-62(78-64)46-19-10-18-42(32-46)44-29-31-72-58(37-44)45-22-26-55-51(34-45)53-36-47(23-28-57(53)66(55,69)70)63-75-59(39-12-4-1-5-13-39)73-60(76-63)40-14-6-2-7-15-40/h1-38H
InChIKeyKFZSJLJSESRKOV-UHFFFAOYSA-N
XLogP16.09
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001019.08
LogP ≤ 516.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(9,9-difluoro-6-pyridin-3-ylfluoren-3-yl)-4-[3-[2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-4-pyridinyl]phenyl]-6-phenyl-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(9,9-difluoro-6-pyridin-3-ylfluoren-3-yl)-4-[3-[2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-4-pyridinyl]phenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(9,9-difluoro-6-pyridin-3-ylfluoren-3-yl)-4-[3-[2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-4-pyridinyl]phenyl]-6-phenyl-1,3,5-triazine (CID 134274451) is 2-(9,9-difluoro-6-pyridin-3-ylfluoren-3-yl)-4-[3-[2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-4-pyridinyl]phenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(9,9-difluoro-6-pyridin-3-ylfluoren-3-yl)-4-[3-[2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-4-pyridinyl]phenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(9,9-difluoro-6-pyridin-3-ylfluoren-3-yl)-4-[3-[2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-4-pyridinyl]phenyl]-6-phenyl-1,3,5-triazine is FC1(F)c2ccc(-c3cccnc3)cc2-c2cc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccnc(-c6ccc7c(c6)-c6cc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)ccc6C7(F)F)c5)c4)n3)ccc21.
What is the InChIKey of 2-(9,9-difluoro-6-pyridin-3-ylfluoren-3-yl)-4-[3-[2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-4-pyridinyl]phenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is KFZSJLJSESRKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H38F4N8/c67-65(68)54-25-21-43(49-20-11-30-71-38-49)33-50(54)52-35-48(24-27-56(52)65)64-77-61(41-16-8-3-9-17-41)74-62(78-64)46-19-10-18-42(32-46)44-29-31-72-58(37-44)45-22-26-55-51(34-45)53-36-47(23-28-57(53)66(55,69)70)63-75-59(39-12-4-1-5-13-39)73-60(76-63)40-14-6-2-7-15-40/h1-38H.
What are the key properties of 2-(9,9-difluoro-6-pyridin-3-ylfluoren-3-yl)-4-[3-[2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-4-pyridinyl]phenyl]-6-phenyl-1,3,5-triazine?
2-(9,9-difluoro-6-pyridin-3-ylfluoren-3-yl)-4-[3-[2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-4-pyridinyl]phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 1019.08 g/mol, XLogP of 16.09, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-difluoro-6-pyridin-3-ylfluoren-3-yl)-4-[3-[2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-4-pyridinyl]phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 134274451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).