3,9,9-trimethyl-7-[2-(trifluoromethyl)phenyl]-2-[3,9,9-trimethyl-7-[2-(trifluoromethyl)phenyl]fluoren-2-yl]fluorene

C46H36F6 — CID 59782329

IUPAC3,9,9-trimethyl-7-[2-(trifluoromethyl)phenyl]-2-[3,9,9-trimethyl-7-[2-(trifluoromethyl)phenyl]fluoren-2-yl]fluorene
SMILESCc1cc2c(cc1-c1cc3c(cc1C)-c1ccc(-c4ccccc4C(F)(F)F)cc1C3(C)C)C(C)(C)c1cc(-c3ccccc3C(F)(F)F)ccc1-2
InChIInChI=1S/C46H36F6/c1-25-19-35-31-17-15-27(29-11-7-9-13-37(29)45(47,48)49)21-39(31)43(3,4)41(35)23-33(25)34-24-42-36(20-26(34)2)32-18-16-28(22-40(32)44(42,5)6)30-12-8-10-14-38(30)46(50,51)52/h7-24H,1-6H3
InChIKeyYGTPMVFGYGHQIB-UHFFFAOYSA-N
MW702.78 g/mol
LogP13.95
Rot. Bonds3

About 3,9,9-trimethyl-7-[2-(trifluoromethyl)phenyl]-2-[3,9,9-trimethyl-7-[2-(trifluoromethyl)phenyl]fluoren-2-yl]fluorene

3,9,9-trimethyl-7-[2-(trifluoromethyl)phenyl]-2-[3,9,9-trimethyl-7-[2-(trifluoromethyl)phenyl]fluoren-2-yl]fluorene (PubChem CID 59782329) has the molecular formula C46H36F6 and a molecular weight of 702.78 g/mol. Its IUPAC name is 3,9,9-trimethyl-7-[2-(trifluoromethyl)phenyl]-2-[3,9,9-trimethyl-7-[2-(trifluoromethyl)phenyl]fluoren-2-yl]fluorene.

Molecular Properties

Compound Name3,9,9-trimethyl-7-[2-(trifluoromethyl)phenyl]-2-[3,9,9-trimethyl-7-[2-(trifluoromethyl)phenyl]fluoren-2-yl]fluorene
PubChem CID59782329
Molecular FormulaC46H36F6
Molecular Weight702.78 g/mol
Exact Mass702.27
IUPAC Name3,9,9-trimethyl-7-[2-(trifluoromethyl)phenyl]-2-[3,9,9-trimethyl-7-[2-(trifluoromethyl)phenyl]fluoren-2-yl]fluorene
SMILESCc1cc2c(cc1-c1cc3c(cc1C)-c1ccc(-c4ccccc4C(F)(F)F)cc1C3(C)C)C(C)(C)c1cc(-c3ccccc3C(F)(F)F)ccc1-2
InChIInChI=1S/C46H36F6/c1-25-19-35-31-17-15-27(29-11-7-9-13-37(29)45(47,48)49)21-39(31)43(3,4)41(35)23-33(25)34-24-42-36(20-26(34)2)32-18-16-28(22-40(32)44(42,5)6)30-12-8-10-14-38(30)46(50,51)52/h7-24H,1-6H3
InChIKeyYGTPMVFGYGHQIB-UHFFFAOYSA-N
XLogP13.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.78
LogP ≤ 513.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3,9,9-trimethyl-7-[2-(trifluoromethyl)phenyl]-2-[3,9,9-trimethyl-7-[2-(trifluoromethyl)phenyl]fluoren-2-yl]fluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,9,9-trimethyl-7-[2-(trifluoromethyl)phenyl]-2-[3,9,9-trimethyl-7-[2-(trifluoromethyl)phenyl]fluoren-2-yl]fluorene?
The IUPAC name of 3,9,9-trimethyl-7-[2-(trifluoromethyl)phenyl]-2-[3,9,9-trimethyl-7-[2-(trifluoromethyl)phenyl]fluoren-2-yl]fluorene (CID 59782329) is 3,9,9-trimethyl-7-[2-(trifluoromethyl)phenyl]-2-[3,9,9-trimethyl-7-[2-(trifluoromethyl)phenyl]fluoren-2-yl]fluorene.
What is the SMILES notation for 3,9,9-trimethyl-7-[2-(trifluoromethyl)phenyl]-2-[3,9,9-trimethyl-7-[2-(trifluoromethyl)phenyl]fluoren-2-yl]fluorene?
The canonical SMILES for 3,9,9-trimethyl-7-[2-(trifluoromethyl)phenyl]-2-[3,9,9-trimethyl-7-[2-(trifluoromethyl)phenyl]fluoren-2-yl]fluorene is Cc1cc2c(cc1-c1cc3c(cc1C)-c1ccc(-c4ccccc4C(F)(F)F)cc1C3(C)C)C(C)(C)c1cc(-c3ccccc3C(F)(F)F)ccc1-2.
What is the InChIKey of 3,9,9-trimethyl-7-[2-(trifluoromethyl)phenyl]-2-[3,9,9-trimethyl-7-[2-(trifluoromethyl)phenyl]fluoren-2-yl]fluorene?
The InChIKey is YGTPMVFGYGHQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36F6/c1-25-19-35-31-17-15-27(29-11-7-9-13-37(29)45(47,48)49)21-39(31)43(3,4)41(35)23-33(25)34-24-42-36(20-26(34)2)32-18-16-28(22-40(32)44(42,5)6)30-12-8-10-14-38(30)46(50,51)52/h7-24H,1-6H3.
What are the key properties of 3,9,9-trimethyl-7-[2-(trifluoromethyl)phenyl]-2-[3,9,9-trimethyl-7-[2-(trifluoromethyl)phenyl]fluoren-2-yl]fluorene?
3,9,9-trimethyl-7-[2-(trifluoromethyl)phenyl]-2-[3,9,9-trimethyl-7-[2-(trifluoromethyl)phenyl]fluoren-2-yl]fluorene has a molecular weight of 702.78 g/mol, XLogP of 13.95, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9,9-trimethyl-7-[2-(trifluoromethyl)phenyl]-2-[3,9,9-trimethyl-7-[2-(trifluoromethyl)phenyl]fluoren-2-yl]fluorene is sourced from PubChem (CID 59782329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).