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

C36H28F3N — CID 59747285

IUPAC2-(9,9-dimethylfluoren-2-yl)-5,5-dimethyl-8-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyridine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(n3)-c3cc(-c5ccc(C(F)(F)F)cc5)ccc3C4(C)C)cc21
InChIInChI=1S/C36H28F3N/c1-34(2)29-16-12-22(21-9-13-24(14-10-21)36(37,38)39)19-27(29)33-30(34)17-18-32(40-33)23-11-15-26-25-7-5-6-8-28(25)35(3,4)31(26)20-23/h5-20H,1-4H3
InChIKeyIOAUANJHOBZOCB-UHFFFAOYSA-N
MW531.62 g/mol
LogP10.05
Rot. Bonds2

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

2-(9,9-dimethylfluoren-2-yl)-5,5-dimethyl-8-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyridine (PubChem CID 59747285) has the molecular formula C36H28F3N and a molecular weight of 531.62 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-2-yl)-5,5-dimethyl-8-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyridine.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-2-yl)-5,5-dimethyl-8-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyridine
PubChem CID59747285
Molecular FormulaC36H28F3N
Molecular Weight531.62 g/mol
Exact Mass531.22
IUPAC Name2-(9,9-dimethylfluoren-2-yl)-5,5-dimethyl-8-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyridine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(n3)-c3cc(-c5ccc(C(F)(F)F)cc5)ccc3C4(C)C)cc21
InChIInChI=1S/C36H28F3N/c1-34(2)29-16-12-22(21-9-13-24(14-10-21)36(37,38)39)19-27(29)33-30(34)17-18-32(40-33)23-11-15-26-25-7-5-6-8-28(25)35(3,4)31(26)20-23/h5-20H,1-4H3
InChIKeyIOAUANJHOBZOCB-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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Related Compounds

2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine
CID 66594001
6-(9,9-dimethylfluoren-2-yl)-2-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-3-phenylpyridine
CID 58881124
2-[7-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)phenanthren-2-yl]-5,5-dimethylindeno[1,2-b]pyridine
CID 59747213
2-(9,9-dimethylfluoren-2-yl)-6-[7-[7-[6-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyridine
CID 58881225
2-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethyl-8-quinolin-2-ylindeno[1,2-b]pyridine
CID 59747284
2,9-bis(9,9-dimethylfluoren-2-yl)-10-[4-(trifluoromethyl)phenyl]anthracene
CID 59196207
2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline
CID 59297216
8-(5,5-diethylindeno[1,2-b]pyridin-2-yl)-2-[4-[2-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-5,5-dimethylindeno[1,2-b]pyridin-8-yl]phenyl]-5,5-dimethylindeno[1,2-b]pyridine
CID 59747283
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole
CID 171770852
2-(9,9-dimethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-methyl-9-(trifluoromethyl)fluorene
CID 59005083
5,5-dimethyl-2-[2,4,5-tris(5,5-dimethylindeno[1,2-b]pyridin-2-yl)phenyl]indeno[1,2-b]pyridine
CID 59747186
2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 59133445

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-5,5-dimethyl-8-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyridine?
The IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-5,5-dimethyl-8-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyridine (CID 59747285) is 2-(9,9-dimethylfluoren-2-yl)-5,5-dimethyl-8-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyridine.
What is the SMILES notation for 2-(9,9-dimethylfluoren-2-yl)-5,5-dimethyl-8-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyridine?
The canonical SMILES for 2-(9,9-dimethylfluoren-2-yl)-5,5-dimethyl-8-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyridine is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(n3)-c3cc(-c5ccc(C(F)(F)F)cc5)ccc3C4(C)C)cc21.
What is the InChIKey of 2-(9,9-dimethylfluoren-2-yl)-5,5-dimethyl-8-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyridine?
The InChIKey is IOAUANJHOBZOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28F3N/c1-34(2)29-16-12-22(21-9-13-24(14-10-21)36(37,38)39)19-27(29)33-30(34)17-18-32(40-33)23-11-15-26-25-7-5-6-8-28(25)35(3,4)31(26)20-23/h5-20H,1-4H3.
What are the key properties of 2-(9,9-dimethylfluoren-2-yl)-5,5-dimethyl-8-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyridine?
2-(9,9-dimethylfluoren-2-yl)-5,5-dimethyl-8-[4-(trifluoromethyl)phenyl]indeno[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 2-(9,9-dimethylfluoren-2-yl)-5,5-dimethyl-8-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyridine is sourced from PubChem (CID 59747285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).