8-[4-(9,9-dimethylfluoren-2-yl)-2-(fluoromethyl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine

C36H30FN — CID 66596310

IUPAC8-[4-(9,9-dimethylfluoren-2-yl)-2-(fluoromethyl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)-c4ncccc4C5(C)C)c(CF)c3)cc21
InChIInChI=1S/C36H30FN/c1-35(2)31-16-13-24(19-29(31)34-32(35)10-7-17-38-34)26-14-11-22(18-25(26)21-37)23-12-15-28-27-8-5-6-9-30(27)36(3,4)33(28)20-23/h5-20H,21H2,1-4H3
InChIKeyKEPXDDRZWVLCFC-UHFFFAOYSA-N
MW495.64 g/mol
LogP9.50
Rot. Bonds3

About 8-[4-(9,9-dimethylfluoren-2-yl)-2-(fluoromethyl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine

8-[4-(9,9-dimethylfluoren-2-yl)-2-(fluoromethyl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine (PubChem CID 66596310) has the molecular formula C36H30FN and a molecular weight of 495.64 g/mol. Its IUPAC name is 8-[4-(9,9-dimethylfluoren-2-yl)-2-(fluoromethyl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine.

Molecular Properties

Compound Name8-[4-(9,9-dimethylfluoren-2-yl)-2-(fluoromethyl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine
PubChem CID66596310
Molecular FormulaC36H30FN
Molecular Weight495.64 g/mol
Exact Mass495.24
IUPAC Name8-[4-(9,9-dimethylfluoren-2-yl)-2-(fluoromethyl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)-c4ncccc4C5(C)C)c(CF)c3)cc21
InChIInChI=1S/C36H30FN/c1-35(2)31-16-13-24(19-29(31)34-32(35)10-7-17-38-34)26-14-11-22(18-25(26)21-37)23-12-15-28-27-8-5-6-9-30(27)36(3,4)33(28)20-23/h5-20H,21H2,1-4H3
InChIKeyKEPXDDRZWVLCFC-UHFFFAOYSA-N
XLogP9.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.64
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(9,9-dimethylfluoren-2-yl)-2-(fluoromethyl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine?
The IUPAC name of 8-[4-(9,9-dimethylfluoren-2-yl)-2-(fluoromethyl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine (CID 66596310) is 8-[4-(9,9-dimethylfluoren-2-yl)-2-(fluoromethyl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine.
What is the SMILES notation for 8-[4-(9,9-dimethylfluoren-2-yl)-2-(fluoromethyl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine?
The canonical SMILES for 8-[4-(9,9-dimethylfluoren-2-yl)-2-(fluoromethyl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)-c4ncccc4C5(C)C)c(CF)c3)cc21.
What is the InChIKey of 8-[4-(9,9-dimethylfluoren-2-yl)-2-(fluoromethyl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine?
The InChIKey is KEPXDDRZWVLCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30FN/c1-35(2)31-16-13-24(19-29(31)34-32(35)10-7-17-38-34)26-14-11-22(18-25(26)21-37)23-12-15-28-27-8-5-6-9-30(27)36(3,4)33(28)20-23/h5-20H,21H2,1-4H3.
What are the key properties of 8-[4-(9,9-dimethylfluoren-2-yl)-2-(fluoromethyl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine?
8-[4-(9,9-dimethylfluoren-2-yl)-2-(fluoromethyl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine has a molecular weight of 495.64 g/mol, XLogP of 9.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(9,9-dimethylfluoren-2-yl)-2-(fluoromethyl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine is sourced from PubChem (CID 66596310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).