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

C42H25F2N5 — CID 134271811

IUPAC4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-2-pyridin-2-ylquinoline
SMILESFC1(F)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-c3cc(-c4ccccn4)nc4ccccc34)ccc21
InChIInChI=1S/C42H25F2N5/c43-42(44)34-20-18-28(31-25-38(37-17-9-10-22-45-37)46-36-16-8-7-15-30(31)36)23-32(34)33-24-29(19-21-35(33)42)41-48-39(26-11-3-1-4-12-26)47-40(49-41)27-13-5-2-6-14-27/h1-25H
InChIKeyLKAUTFHGXLQDKS-UHFFFAOYSA-N
MW637.69 g/mol
LogP10.27
Rot. Bonds5

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

4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-2-pyridin-2-ylquinoline (PubChem CID 134271811) has the molecular formula C42H25F2N5 and a molecular weight of 637.69 g/mol. Its IUPAC name is 4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-2-pyridin-2-ylquinoline.

Molecular Properties

Compound Name4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-2-pyridin-2-ylquinoline
PubChem CID134271811
Molecular FormulaC42H25F2N5
Molecular Weight637.69 g/mol
Exact Mass637.21
IUPAC Name4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-2-pyridin-2-ylquinoline
SMILESFC1(F)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-c3cc(-c4ccccn4)nc4ccccc34)ccc21
InChIInChI=1S/C42H25F2N5/c43-42(44)34-20-18-28(31-25-38(37-17-9-10-22-45-37)46-36-16-8-7-15-30(31)36)23-32(34)33-24-29(19-21-35(33)42)41-48-39(26-11-3-1-4-12-26)47-40(49-41)27-13-5-2-6-14-27/h1-25H
InChIKeyLKAUTFHGXLQDKS-UHFFFAOYSA-N
XLogP10.27
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.69
LogP ≤ 510.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-2-pyridin-2-ylquinoline?
The IUPAC name of 4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-2-pyridin-2-ylquinoline (CID 134271811) is 4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-2-pyridin-2-ylquinoline.
What is the SMILES notation for 4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-2-pyridin-2-ylquinoline?
The canonical SMILES for 4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-2-pyridin-2-ylquinoline is FC1(F)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-c3cc(-c4ccccn4)nc4ccccc34)ccc21.
What is the InChIKey of 4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-2-pyridin-2-ylquinoline?
The InChIKey is LKAUTFHGXLQDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25F2N5/c43-42(44)34-20-18-28(31-25-38(37-17-9-10-22-45-37)46-36-16-8-7-15-30(31)36)23-32(34)33-24-29(19-21-35(33)42)41-48-39(26-11-3-1-4-12-26)47-40(49-41)27-13-5-2-6-14-27/h1-25H.
What are the key properties of 4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-2-pyridin-2-ylquinoline?
4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-2-pyridin-2-ylquinoline has a molecular weight of 637.69 g/mol, XLogP of 10.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-2-pyridin-2-ylquinoline is sourced from PubChem (CID 134271811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).