4-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]phenyl]-2-pyridin-2-ylquinoline

C48H29F2N5 — CID 134271919

IUPAC4-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]phenyl]-2-pyridin-2-ylquinoline
SMILESFC1(F)c2cc(-c3ccc(-c4cc(-c5ccccn5)nc5ccccc45)cc3)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C48H29F2N5/c49-48(50)40-27-34(30-18-20-31(21-19-30)39-29-44(43-17-9-10-26-51-43)52-42-16-8-7-15-38(39)42)22-24-36(40)37-25-23-35(28-41(37)48)47-54-45(32-11-3-1-4-12-32)53-46(55-47)33-13-5-2-6-14-33/h1-29H
InChIKeyUZXXGMLSCJDJRP-UHFFFAOYSA-N
MW713.79 g/mol
LogP11.94
Rot. Bonds6

About 4-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]phenyl]-2-pyridin-2-ylquinoline

4-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]phenyl]-2-pyridin-2-ylquinoline (PubChem CID 134271919) has the molecular formula C48H29F2N5 and a molecular weight of 713.79 g/mol. Its IUPAC name is 4-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]phenyl]-2-pyridin-2-ylquinoline.

Molecular Properties

Compound Name4-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]phenyl]-2-pyridin-2-ylquinoline
PubChem CID134271919
Molecular FormulaC48H29F2N5
Molecular Weight713.79 g/mol
Exact Mass713.24
IUPAC Name4-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]phenyl]-2-pyridin-2-ylquinoline
SMILESFC1(F)c2cc(-c3ccc(-c4cc(-c5ccccn5)nc5ccccc45)cc3)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C48H29F2N5/c49-48(50)40-27-34(30-18-20-31(21-19-30)39-29-44(43-17-9-10-26-51-43)52-42-16-8-7-15-38(39)42)22-24-36(40)37-25-23-35(28-41(37)48)47-54-45(32-11-3-1-4-12-32)53-46(55-47)33-13-5-2-6-14-33/h1-29H
InChIKeyUZXXGMLSCJDJRP-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

Analyze 4-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]phenyl]-2-pyridin-2-ylquinoline with MolForge

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Related Compounds

6-Methyl-N5-(3-(pyrimidin-4-yl)pyridin-2-yl)-N1-(3-(trifluoromethyl)phenyl)isoquinoline-1,5-diamine
CID 16214904
5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-2-pyrimidin-5-ylquinazolin-4-amine
CID 51030641
N-(pyridin-2-ylmethyl)-2-pyrimidin-5-yl-5-[4-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 51030643
2-Methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinoline
CID 139326716
N-[(4-pyridin-3-ylphenyl)methyl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 60167830
4-[4-benzyl-3-(trifluoromethyl)phenyl]-6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indole
CID 90013546
4-[4-benzyl-2-(trifluoromethyl)phenyl]-6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indole
CID 90013915
US10167270, Example 17
CID 124168021
US9981944, Example 109
CID 122478671
US11839613, Example 318
CID 135381987
N-[(4-pyridin-4-ylphenyl)methyl]-2-[2-(trifluoromethyl)phenyl]quinazolin-5-amine
CID 139208741
N-[(4-pyridin-3-ylphenyl)methyl]-2-[2-(trifluoromethyl)phenyl]quinazolin-5-amine
CID 139208742

Frequently Asked Questions

What is the IUPAC name of 4-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]phenyl]-2-pyridin-2-ylquinoline?
The IUPAC name of 4-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]phenyl]-2-pyridin-2-ylquinoline (CID 134271919) is 4-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]phenyl]-2-pyridin-2-ylquinoline.
What is the SMILES notation for 4-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]phenyl]-2-pyridin-2-ylquinoline?
The canonical SMILES for 4-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]phenyl]-2-pyridin-2-ylquinoline is FC1(F)c2cc(-c3ccc(-c4cc(-c5ccccn5)nc5ccccc45)cc3)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21.
What is the InChIKey of 4-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]phenyl]-2-pyridin-2-ylquinoline?
The InChIKey is UZXXGMLSCJDJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29F2N5/c49-48(50)40-27-34(30-18-20-31(21-19-30)39-29-44(43-17-9-10-26-51-43)52-42-16-8-7-15-38(39)42)22-24-36(40)37-25-23-35(28-41(37)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-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]phenyl]-2-pyridin-2-ylquinoline?
4-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-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-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]phenyl]-2-pyridin-2-ylquinoline is sourced from PubChem (CID 134271919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).