5-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]quinolin-2-yl]-8-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-quinolin-8-ylphenyl]quinoline

C89H51F4N9 — CID 134274455

IUPAC5-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]quinolin-2-yl]-8-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-quinolin-8-ylphenyl]quinoline
SMILESFC1(F)c2cc(-c3cc(-c4cccc5cccnc45)cc(-c4ccc(-c5ccc6cccc(-c7ccc8c(c7)C(F)(F)c7cc(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)ccc7-8)c6n5)c5cccnc45)c3)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C89H51F4N9/c90-88(91)74-48-58(31-36-68(74)70-38-33-60(50-76(70)88)86-99-82(54-17-5-1-6-18-54)97-83(100-86)55-19-7-2-8-20-55)62-45-63(66-29-13-25-52-27-15-43-94-79(52)66)47-64(46-62)67-40-41-72(73-30-16-44-95-81(67)73)78-42-35-53-26-14-28-65(80(53)96-78)59-32-37-69-71-39-34-61(51-77(71)89(92,93)75(69)49-59)87-101-84(56-21-9-3-10-22-56)98-85(102-87)57-23-11-4-12-24-57/h1-51H
InChIKeyXZPWDKIRQSTGLG-UHFFFAOYSA-N
MW1322.44 g/mol
LogP22.28
Rot. Bonds11

About 5-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]quinolin-2-yl]-8-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-quinolin-8-ylphenyl]quinoline

5-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]quinolin-2-yl]-8-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-quinolin-8-ylphenyl]quinoline (PubChem CID 134274455) has the molecular formula C89H51F4N9 and a molecular weight of 1322.44 g/mol. Its IUPAC name is 5-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]quinolin-2-yl]-8-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-quinolin-8-ylphenyl]quinoline.

Molecular Properties

Compound Name5-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]quinolin-2-yl]-8-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-quinolin-8-ylphenyl]quinoline
PubChem CID134274455
Molecular FormulaC89H51F4N9
Molecular Weight1322.44 g/mol
Exact Mass1321.42
IUPAC Name5-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]quinolin-2-yl]-8-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-quinolin-8-ylphenyl]quinoline
SMILESFC1(F)c2cc(-c3cc(-c4cccc5cccnc45)cc(-c4ccc(-c5ccc6cccc(-c7ccc8c(c7)C(F)(F)c7cc(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)ccc7-8)c6n5)c5cccnc45)c3)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C89H51F4N9/c90-88(91)74-48-58(31-36-68(74)70-38-33-60(50-76(70)88)86-99-82(54-17-5-1-6-18-54)97-83(100-86)55-19-7-2-8-20-55)62-45-63(66-29-13-25-52-27-15-43-94-79(52)66)47-64(46-62)67-40-41-72(73-30-16-44-95-81(67)73)78-42-35-53-26-14-28-65(80(53)96-78)59-32-37-69-71-39-34-61(51-77(71)89(92,93)75(69)49-59)87-101-84(56-21-9-3-10-22-56)98-85(102-87)57-23-11-4-12-24-57/h1-51H
InChIKeyXZPWDKIRQSTGLG-UHFFFAOYSA-N
XLogP22.28
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001322.44
LogP ≤ 522.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]quinolin-2-yl]-8-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-quinolin-8-ylphenyl]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]quinolin-2-yl]-8-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-quinolin-8-ylphenyl]quinoline?
The IUPAC name of 5-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]quinolin-2-yl]-8-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-quinolin-8-ylphenyl]quinoline (CID 134274455) is 5-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]quinolin-2-yl]-8-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-quinolin-8-ylphenyl]quinoline.
What is the SMILES notation for 5-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]quinolin-2-yl]-8-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-quinolin-8-ylphenyl]quinoline?
The canonical SMILES for 5-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]quinolin-2-yl]-8-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-quinolin-8-ylphenyl]quinoline is FC1(F)c2cc(-c3cc(-c4cccc5cccnc45)cc(-c4ccc(-c5ccc6cccc(-c7ccc8c(c7)C(F)(F)c7cc(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)ccc7-8)c6n5)c5cccnc45)c3)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21.
What is the InChIKey of 5-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]quinolin-2-yl]-8-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-quinolin-8-ylphenyl]quinoline?
The InChIKey is XZPWDKIRQSTGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H51F4N9/c90-88(91)74-48-58(31-36-68(74)70-38-33-60(50-76(70)88)86-99-82(54-17-5-1-6-18-54)97-83(100-86)55-19-7-2-8-20-55)62-45-63(66-29-13-25-52-27-15-43-94-79(52)66)47-64(46-62)67-40-41-72(73-30-16-44-95-81(67)73)78-42-35-53-26-14-28-65(80(53)96-78)59-32-37-69-71-39-34-61(51-77(71)89(92,93)75(69)49-59)87-101-84(56-21-9-3-10-22-56)98-85(102-87)57-23-11-4-12-24-57/h1-51H.
What are the key properties of 5-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]quinolin-2-yl]-8-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-quinolin-8-ylphenyl]quinoline?
5-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]quinolin-2-yl]-8-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-quinolin-8-ylphenyl]quinoline has a molecular weight of 1322.44 g/mol, XLogP of 22.28, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]quinolin-2-yl]-8-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-quinolin-8-ylphenyl]quinoline is sourced from PubChem (CID 134274455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).