8-(3,5-difluorophenyl)-2-(9,9-dimethylfluoren-2-yl)-5,5-dimethylindeno[1,2-b]pyridine

C35H27F2N — CID 59747193

IUPAC8-(3,5-difluorophenyl)-2-(9,9-dimethylfluoren-2-yl)-5,5-dimethylindeno[1,2-b]pyridine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(n3)-c3cc(-c5cc(F)cc(F)c5)ccc3C4(C)C)cc21
InChIInChI=1S/C35H27F2N/c1-34(2)29-12-10-20(22-15-23(36)19-24(37)16-22)17-27(29)33-30(34)13-14-32(38-33)21-9-11-26-25-7-5-6-8-28(25)35(3,4)31(26)18-21/h5-19H,1-4H3
InChIKeyDTTQMRNXZNLRLA-UHFFFAOYSA-N
MW499.60 g/mol
LogP9.31
Rot. Bonds2

About 8-(3,5-difluorophenyl)-2-(9,9-dimethylfluoren-2-yl)-5,5-dimethylindeno[1,2-b]pyridine

8-(3,5-difluorophenyl)-2-(9,9-dimethylfluoren-2-yl)-5,5-dimethylindeno[1,2-b]pyridine (PubChem CID 59747193) has the molecular formula C35H27F2N and a molecular weight of 499.60 g/mol. Its IUPAC name is 8-(3,5-difluorophenyl)-2-(9,9-dimethylfluoren-2-yl)-5,5-dimethylindeno[1,2-b]pyridine.

Molecular Properties

Compound Name8-(3,5-difluorophenyl)-2-(9,9-dimethylfluoren-2-yl)-5,5-dimethylindeno[1,2-b]pyridine
PubChem CID59747193
Molecular FormulaC35H27F2N
Molecular Weight499.60 g/mol
Exact Mass499.21
IUPAC Name8-(3,5-difluorophenyl)-2-(9,9-dimethylfluoren-2-yl)-5,5-dimethylindeno[1,2-b]pyridine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(n3)-c3cc(-c5cc(F)cc(F)c5)ccc3C4(C)C)cc21
InChIInChI=1S/C35H27F2N/c1-34(2)29-12-10-20(22-15-23(36)19-24(37)16-22)17-27(29)33-30(34)13-14-32(38-33)21-9-11-26-25-7-5-6-8-28(25)35(3,4)31(26)18-21/h5-19H,1-4H3
InChIKeyDTTQMRNXZNLRLA-UHFFFAOYSA-N
XLogP9.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.60
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-(3,5-difluorophenyl)-2-(9,9-dimethylfluoren-2-yl)-5,5-dimethylindeno[1,2-b]pyridine?
The IUPAC name of 8-(3,5-difluorophenyl)-2-(9,9-dimethylfluoren-2-yl)-5,5-dimethylindeno[1,2-b]pyridine (CID 59747193) is 8-(3,5-difluorophenyl)-2-(9,9-dimethylfluoren-2-yl)-5,5-dimethylindeno[1,2-b]pyridine.
What is the SMILES notation for 8-(3,5-difluorophenyl)-2-(9,9-dimethylfluoren-2-yl)-5,5-dimethylindeno[1,2-b]pyridine?
The canonical SMILES for 8-(3,5-difluorophenyl)-2-(9,9-dimethylfluoren-2-yl)-5,5-dimethylindeno[1,2-b]pyridine is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(n3)-c3cc(-c5cc(F)cc(F)c5)ccc3C4(C)C)cc21.
What is the InChIKey of 8-(3,5-difluorophenyl)-2-(9,9-dimethylfluoren-2-yl)-5,5-dimethylindeno[1,2-b]pyridine?
The InChIKey is DTTQMRNXZNLRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27F2N/c1-34(2)29-12-10-20(22-15-23(36)19-24(37)16-22)17-27(29)33-30(34)13-14-32(38-33)21-9-11-26-25-7-5-6-8-28(25)35(3,4)31(26)18-21/h5-19H,1-4H3.
What are the key properties of 8-(3,5-difluorophenyl)-2-(9,9-dimethylfluoren-2-yl)-5,5-dimethylindeno[1,2-b]pyridine?
8-(3,5-difluorophenyl)-2-(9,9-dimethylfluoren-2-yl)-5,5-dimethylindeno[1,2-b]pyridine has a molecular weight of 499.60 g/mol, XLogP of 9.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,5-difluorophenyl)-2-(9,9-dimethylfluoren-2-yl)-5,5-dimethylindeno[1,2-b]pyridine is sourced from PubChem (CID 59747193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).