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

C60H44F6 — CID 59005083

About 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

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 (PubChem CID 59005083) has the molecular formula C60H44F6 and a molecular weight of 879.00 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 59005083
• Molecular Formula: C60H44F6
• Molecular Weight: 879.00 g/mol
• Exact Mass: 878.33
• IUPAC Name: 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
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C(F)(F)F)c3cc(-c5ccc6c(c5)C(C)(C(F)(F)F)c5cc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)ccc5-6)ccc3-4)cc21
• InChI: InChI=1S/C60H44F6/c1-55(2)47-13-9-7-11-39(47)41-21-15-33(27-49(41)55)35-17-23-43-45-25-19-37(31-53(45)57(5,51(43)29-35)59(61,62)63)38-20-26-46-44-24-18-36(30-52(44)58(6,54(46)32-38)60(64,65)66)34-16-22-42-40-12-8-10-14-48(40)56(3,4)50(42)28-34/h7-32H,1-6H3
• InChIKey: MYYZWNIMFJGTRQ-UHFFFAOYSA-N
• XLogP: 17.00
• TPSA: 0.00 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	879.00
LogP ≤ 5	17.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C(F)(F)F)c3cc(-c5ccc6c(c5)C(C)(C(F)(F)F)c5cc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)ccc5-6)ccc3-4)cc21.

What is the InChIKey of 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?

The InChIKey is MYYZWNIMFJGTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H44F6/c1-55(2)47-13-9-7-11-39(47)41-21-15-33(27-49(41)55)35-17-23-43-45-25-19-37(31-53(45)57(5,51(43)29-35)59(61,62)63)38-20-26-46-44-24-18-36(30-52(44)58(6,54(46)32-38)60(64,65)66)34-16-22-42-40-12-8-10-14-48(40)56(3,4)50(42)28-34/h7-32H,1-6H3.

What are the key properties of 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?

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 has a molecular weight of 879.00 g/mol, XLogP of 17.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 59005083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).