8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-6-pyridin-2-ylquinoline

C42H25F2N5 — CID 134271794

IUPAC8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-6-pyridin-2-ylquinoline
SMILESFC1(F)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-c3cc(-c4ccccn4)cc4cccnc34)ccc21
InChIInChI=1S/C42H25F2N5/c43-42(44)35-18-16-28(32-25-31(37-15-7-8-20-45-37)22-29-14-9-21-46-38(29)32)23-33(35)34-24-30(17-19-36(34)42)41-48-39(26-10-3-1-4-11-26)47-40(49-41)27-12-5-2-6-13-27/h1-25H
InChIKeyXVBRVOLYFBXANT-UHFFFAOYSA-N
MW637.69 g/mol
LogP10.27
Rot. Bonds5

About 8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-6-pyridin-2-ylquinoline

8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-6-pyridin-2-ylquinoline (PubChem CID 134271794) has the molecular formula C42H25F2N5 and a molecular weight of 637.69 g/mol. Its IUPAC name is 8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-6-pyridin-2-ylquinoline.

Molecular Properties

Compound Name8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-6-pyridin-2-ylquinoline
PubChem CID134271794
Molecular FormulaC42H25F2N5
Molecular Weight637.69 g/mol
Exact Mass637.21
IUPAC Name8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-6-pyridin-2-ylquinoline
SMILESFC1(F)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-c3cc(-c4ccccn4)cc4cccnc34)ccc21
InChIInChI=1S/C42H25F2N5/c43-42(44)35-18-16-28(32-25-31(37-15-7-8-20-45-37)22-29-14-9-21-46-38(29)32)23-33(35)34-24-30(17-19-36(34)42)41-48-39(26-10-3-1-4-11-26)47-40(49-41)27-12-5-2-6-13-27/h1-25H
InChIKeyXVBRVOLYFBXANT-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 8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-6-pyridin-2-ylquinoline?
The IUPAC name of 8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-6-pyridin-2-ylquinoline (CID 134271794) is 8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-6-pyridin-2-ylquinoline.
What is the SMILES notation for 8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-6-pyridin-2-ylquinoline?
The canonical SMILES for 8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-6-pyridin-2-ylquinoline is FC1(F)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-c3cc(-c4ccccn4)cc4cccnc34)ccc21.
What is the InChIKey of 8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-6-pyridin-2-ylquinoline?
The InChIKey is XVBRVOLYFBXANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25F2N5/c43-42(44)35-18-16-28(32-25-31(37-15-7-8-20-45-37)22-29-14-9-21-46-38(29)32)23-33(35)34-24-30(17-19-36(34)42)41-48-39(26-10-3-1-4-11-26)47-40(49-41)27-12-5-2-6-13-27/h1-25H.
What are the key properties of 8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-6-pyridin-2-ylquinoline?
8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-6-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 8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-6-pyridin-2-ylquinoline is sourced from PubChem (CID 134271794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).