4-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]phenyl]-2-pyridin-2-ylquinoline

C48H29F2N5 — CID 135247190

IUPAC4-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]phenyl]-2-pyridin-2-ylquinoline
SMILESFC1(F)c2ccc(-c3ccc(-c4cc(-c5ccccn5)nc5ccccc45)cc3)cc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C48H29F2N5/c49-48(50)40-24-22-34(30-18-20-31(21-19-30)37-29-44(43-17-9-10-26-51-43)52-42-16-8-7-15-36(37)42)27-38(40)39-28-35(23-25-41(39)48)47-54-45(32-11-3-1-4-12-32)53-46(55-47)33-13-5-2-6-14-33/h1-29H
InChIKeyGVVBEZRKHLUMFJ-UHFFFAOYSA-N
MW713.79 g/mol
LogP11.94
Rot. Bonds6

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

4-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]phenyl]-2-pyridin-2-ylquinoline (PubChem CID 135247190) has the molecular formula C48H29F2N5 and a molecular weight of 713.79 g/mol. Its IUPAC name is 4-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]phenyl]-2-pyridin-2-ylquinoline.

Molecular Properties

Compound Name4-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]phenyl]-2-pyridin-2-ylquinoline
PubChem CID135247190
Molecular FormulaC48H29F2N5
Molecular Weight713.79 g/mol
Exact Mass713.24
IUPAC Name4-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]phenyl]-2-pyridin-2-ylquinoline
SMILESFC1(F)c2ccc(-c3ccc(-c4cc(-c5ccccn5)nc5ccccc45)cc3)cc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C48H29F2N5/c49-48(50)40-24-22-34(30-18-20-31(21-19-30)37-29-44(43-17-9-10-26-51-43)52-42-16-8-7-15-36(37)42)27-38(40)39-28-35(23-25-41(39)48)47-54-45(32-11-3-1-4-12-32)53-46(55-47)33-13-5-2-6-14-33/h1-29H
InChIKeyGVVBEZRKHLUMFJ-UHFFFAOYSA-N
XLogP11.94
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.79
LogP ≤ 511.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]phenyl]-2-pyridin-2-ylquinoline?
The IUPAC name of 4-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]phenyl]-2-pyridin-2-ylquinoline (CID 135247190) is 4-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]phenyl]-2-pyridin-2-ylquinoline.
What is the SMILES notation for 4-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]phenyl]-2-pyridin-2-ylquinoline?
The canonical SMILES for 4-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]phenyl]-2-pyridin-2-ylquinoline is FC1(F)c2ccc(-c3ccc(-c4cc(-c5ccccn5)nc5ccccc45)cc3)cc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21.
What is the InChIKey of 4-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]phenyl]-2-pyridin-2-ylquinoline?
The InChIKey is GVVBEZRKHLUMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29F2N5/c49-48(50)40-24-22-34(30-18-20-31(21-19-30)37-29-44(43-17-9-10-26-51-43)52-42-16-8-7-15-36(37)42)27-38(40)39-28-35(23-25-41(39)48)47-54-45(32-11-3-1-4-12-32)53-46(55-47)33-13-5-2-6-14-33/h1-29H.
What are the key properties of 4-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]phenyl]-2-pyridin-2-ylquinoline?
4-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]phenyl]-2-pyridin-2-ylquinoline has a molecular weight of 713.79 g/mol, XLogP of 11.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]phenyl]-2-pyridin-2-ylquinoline is sourced from PubChem (CID 135247190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).