1,6,7,10-tetramethyl-3,4,8,9-tetrakis(trifluoromethyl)fluoranthene

C48H28F24 — CID 139203252

IUPAC1,6,7,10-tetramethyl-3,4,8,9-tetrakis(trifluoromethyl)fluoranthene
SMILESCc1cc(C(F)(F)F)c2c(C(F)(F)F)cc(C)c3c2c1-c1c(C)c(C(F)(F)F)c(C(F)(F)F)c(C)c1-3.Cc1cc(C(F)(F)F)c2c(C(F)(F)F)cc(C)c3c2c1-c1c(C)c(C(F)(F)F)c(C(F)(F)F)c(C)c1-3
InChIInChI=1S/2C24H14F12/c2*1-7-5-11(21(25,26)27)17-12(22(28,29)30)6-8(2)14-16-10(4)20(24(34,35)36)19(23(31,32)33)9(3)15(16)13(7)18(14)17/h2*5-6H,1-4H3
InChIKeyHBIILQVHTWXQET-UHFFFAOYSA-N
MW1060.70 g/mol
LogP19.59
Rot. Bonds

About 1,6,7,10-tetramethyl-3,4,8,9-tetrakis(trifluoromethyl)fluoranthene

1,6,7,10-tetramethyl-3,4,8,9-tetrakis(trifluoromethyl)fluoranthene (PubChem CID 139203252) has the molecular formula C48H28F24 and a molecular weight of 1060.70 g/mol. Its IUPAC name is 1,6,7,10-tetramethyl-3,4,8,9-tetrakis(trifluoromethyl)fluoranthene.

Molecular Properties

Compound Name1,6,7,10-tetramethyl-3,4,8,9-tetrakis(trifluoromethyl)fluoranthene
PubChem CID139203252
Molecular FormulaC48H28F24
Molecular Weight1060.70 g/mol
Exact Mass1060.18
IUPAC Name1,6,7,10-tetramethyl-3,4,8,9-tetrakis(trifluoromethyl)fluoranthene
SMILESCc1cc(C(F)(F)F)c2c(C(F)(F)F)cc(C)c3c2c1-c1c(C)c(C(F)(F)F)c(C(F)(F)F)c(C)c1-3.Cc1cc(C(F)(F)F)c2c(C(F)(F)F)cc(C)c3c2c1-c1c(C)c(C(F)(F)F)c(C(F)(F)F)c(C)c1-3
InChIInChI=1S/2C24H14F12/c2*1-7-5-11(21(25,26)27)17-12(22(28,29)30)6-8(2)14-16-10(4)20(24(34,35)36)19(23(31,32)33)9(3)15(16)13(7)18(14)17/h2*5-6H,1-4H3
InChIKeyHBIILQVHTWXQET-UHFFFAOYSA-N
XLogP19.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001060.70
LogP ≤ 519.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,6,7,10-tetramethyl-3,4,8,9-tetrakis(trifluoromethyl)fluoranthene?
The IUPAC name of 1,6,7,10-tetramethyl-3,4,8,9-tetrakis(trifluoromethyl)fluoranthene (CID 139203252) is 1,6,7,10-tetramethyl-3,4,8,9-tetrakis(trifluoromethyl)fluoranthene.
What is the SMILES notation for 1,6,7,10-tetramethyl-3,4,8,9-tetrakis(trifluoromethyl)fluoranthene?
The canonical SMILES for 1,6,7,10-tetramethyl-3,4,8,9-tetrakis(trifluoromethyl)fluoranthene is Cc1cc(C(F)(F)F)c2c(C(F)(F)F)cc(C)c3c2c1-c1c(C)c(C(F)(F)F)c(C(F)(F)F)c(C)c1-3.Cc1cc(C(F)(F)F)c2c(C(F)(F)F)cc(C)c3c2c1-c1c(C)c(C(F)(F)F)c(C(F)(F)F)c(C)c1-3.
What is the InChIKey of 1,6,7,10-tetramethyl-3,4,8,9-tetrakis(trifluoromethyl)fluoranthene?
The InChIKey is HBIILQVHTWXQET-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H14F12/c2*1-7-5-11(21(25,26)27)17-12(22(28,29)30)6-8(2)14-16-10(4)20(24(34,35)36)19(23(31,32)33)9(3)15(16)13(7)18(14)17/h2*5-6H,1-4H3.
What are the key properties of 1,6,7,10-tetramethyl-3,4,8,9-tetrakis(trifluoromethyl)fluoranthene?
1,6,7,10-tetramethyl-3,4,8,9-tetrakis(trifluoromethyl)fluoranthene has a molecular weight of 1060.70 g/mol, XLogP of 19.59, 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-3,4,8,9-tetrakis(trifluoromethyl)fluoranthene is sourced from PubChem (CID 139203252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).