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

C36H28F3N — CID 59747133

IUPAC8-[4-(9,9-dimethylfluoren-2-yl)-2-(trifluoromethyl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)-c4ncccc4C5(C)C)c(C(F)(F)F)c3)cc21
InChIInChI=1S/C36H28F3N/c1-34(2)29-16-13-23(18-27(29)33-30(34)10-7-17-40-33)24-14-11-22(20-32(24)36(37,38)39)21-12-15-26-25-8-5-6-9-28(25)35(3,4)31(26)19-21/h5-20H,1-4H3
InChIKeyUQECICOANGKSMI-UHFFFAOYSA-N
MW531.62 g/mol
LogP10.05
Rot. Bonds2

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

8-[4-(9,9-dimethylfluoren-2-yl)-2-(trifluoromethyl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine (PubChem CID 59747133) has the molecular formula C36H28F3N and a molecular weight of 531.62 g/mol. Its IUPAC name is 8-[4-(9,9-dimethylfluoren-2-yl)-2-(trifluoromethyl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine.

Molecular Properties

Compound Name8-[4-(9,9-dimethylfluoren-2-yl)-2-(trifluoromethyl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine
PubChem CID59747133
Molecular FormulaC36H28F3N
Molecular Weight531.62 g/mol
Exact Mass531.22
IUPAC Name8-[4-(9,9-dimethylfluoren-2-yl)-2-(trifluoromethyl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)-c4ncccc4C5(C)C)c(C(F)(F)F)c3)cc21
InChIInChI=1S/C36H28F3N/c1-34(2)29-16-13-23(18-27(29)33-30(34)10-7-17-40-33)24-14-11-22(20-32(24)36(37,38)39)21-12-15-26-25-8-5-6-9-28(25)35(3,4)31(26)19-21/h5-20H,1-4H3
InChIKeyUQECICOANGKSMI-UHFFFAOYSA-N
XLogP10.05
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.62
LogP ≤ 510.05
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-(trifluoromethyl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine?
The IUPAC name of 8-[4-(9,9-dimethylfluoren-2-yl)-2-(trifluoromethyl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine (CID 59747133) is 8-[4-(9,9-dimethylfluoren-2-yl)-2-(trifluoromethyl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine.
What is the SMILES notation for 8-[4-(9,9-dimethylfluoren-2-yl)-2-(trifluoromethyl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine?
The canonical SMILES for 8-[4-(9,9-dimethylfluoren-2-yl)-2-(trifluoromethyl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)-c4ncccc4C5(C)C)c(C(F)(F)F)c3)cc21.
What is the InChIKey of 8-[4-(9,9-dimethylfluoren-2-yl)-2-(trifluoromethyl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine?
The InChIKey is UQECICOANGKSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28F3N/c1-34(2)29-16-13-23(18-27(29)33-30(34)10-7-17-40-33)24-14-11-22(20-32(24)36(37,38)39)21-12-15-26-25-8-5-6-9-28(25)35(3,4)31(26)19-21/h5-20H,1-4H3.
What are the key properties of 8-[4-(9,9-dimethylfluoren-2-yl)-2-(trifluoromethyl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine?
8-[4-(9,9-dimethylfluoren-2-yl)-2-(trifluoromethyl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine has a molecular weight of 531.62 g/mol, XLogP of 10.05, 2 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-(trifluoromethyl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine is sourced from PubChem (CID 59747133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).