1,6,7,10-tetramethyl-8-(trifluoromethyl)fluoranthene

C42H34F6 — CID 139203253

IUPAC1,6,7,10-tetramethyl-8-(trifluoromethyl)fluoranthene
SMILESCc1cc(C(F)(F)F)c(C)c2c1-c1c(C)ccc3ccc(C)c-2c13.Cc1cc(C(F)(F)F)c(C)c2c1-c1c(C)ccc3ccc(C)c-2c13
InChIInChI=1S/2C21H17F3/c2*1-10-5-7-14-8-6-11(2)17-19-13(4)15(21(22,23)24)9-12(3)18(19)16(10)20(14)17/h2*5-9H,1-4H3
InChIKeyXPIXXGYRGKHAAA-UHFFFAOYSA-N
MW652.72 g/mol
LogP13.48
Rot. Bonds

About 1,6,7,10-tetramethyl-8-(trifluoromethyl)fluoranthene

1,6,7,10-tetramethyl-8-(trifluoromethyl)fluoranthene (PubChem CID 139203253) has the molecular formula C42H34F6 and a molecular weight of 652.72 g/mol. Its IUPAC name is 1,6,7,10-tetramethyl-8-(trifluoromethyl)fluoranthene.

Molecular Properties

Compound Name1,6,7,10-tetramethyl-8-(trifluoromethyl)fluoranthene
PubChem CID139203253
Molecular FormulaC42H34F6
Molecular Weight652.72 g/mol
Exact Mass652.26
IUPAC Name1,6,7,10-tetramethyl-8-(trifluoromethyl)fluoranthene
SMILESCc1cc(C(F)(F)F)c(C)c2c1-c1c(C)ccc3ccc(C)c-2c13.Cc1cc(C(F)(F)F)c(C)c2c1-c1c(C)ccc3ccc(C)c-2c13
InChIInChI=1S/2C21H17F3/c2*1-10-5-7-14-8-6-11(2)17-19-13(4)15(21(22,23)24)9-12(3)18(19)16(10)20(14)17/h2*5-9H,1-4H3
InChIKeyXPIXXGYRGKHAAA-UHFFFAOYSA-N
XLogP13.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.72
LogP ≤ 513.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,6,7,10-tetramethyl-8-(trifluoromethyl)fluoranthene 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 1,6,7,10-tetramethyl-8-(trifluoromethyl)fluoranthene?
The IUPAC name of 1,6,7,10-tetramethyl-8-(trifluoromethyl)fluoranthene (CID 139203253) is 1,6,7,10-tetramethyl-8-(trifluoromethyl)fluoranthene.
What is the SMILES notation for 1,6,7,10-tetramethyl-8-(trifluoromethyl)fluoranthene?
The canonical SMILES for 1,6,7,10-tetramethyl-8-(trifluoromethyl)fluoranthene is Cc1cc(C(F)(F)F)c(C)c2c1-c1c(C)ccc3ccc(C)c-2c13.Cc1cc(C(F)(F)F)c(C)c2c1-c1c(C)ccc3ccc(C)c-2c13.
What is the InChIKey of 1,6,7,10-tetramethyl-8-(trifluoromethyl)fluoranthene?
The InChIKey is XPIXXGYRGKHAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H17F3/c2*1-10-5-7-14-8-6-11(2)17-19-13(4)15(21(22,23)24)9-12(3)18(19)16(10)20(14)17/h2*5-9H,1-4H3.
What are the key properties of 1,6,7,10-tetramethyl-8-(trifluoromethyl)fluoranthene?
1,6,7,10-tetramethyl-8-(trifluoromethyl)fluoranthene has a molecular weight of 652.72 g/mol, XLogP of 13.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,7,10-tetramethyl-8-(trifluoromethyl)fluoranthene is sourced from PubChem (CID 139203253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).