5,5,6,7,7,12,12,13,14,14-decafluoro-1,2,3,4,8,9,10,11-octamethylpentacene

C30H24F10 — CID 58854972

IUPAC5,5,6,7,7,12,12,13,14,14-decafluoro-1,2,3,4,8,9,10,11-octamethylpentacene
SMILESCc1c(C)c(C)c2c(c1C)C(F)(F)c1c(F)c3c(c(F)c1C2(F)F)C(F)(F)c1c(C)c(C)c(C)c(C)c1C3(F)F
InChIInChI=1S/C30H24F10/c1-9-10(2)14(6)18-17(13(9)5)27(33,34)21-22(28(18,35)36)26(32)24-23(25(21)31)29(37,38)19-15(7)11(3)12(4)16(8)20(19)30(24,39)40/h1-8H3
InChIKeyLPTBQBCWRFQMMZ-UHFFFAOYSA-N
MW574.50 g/mol
LogP9.62
Rot. Bonds

About 5,5,6,7,7,12,12,13,14,14-decafluoro-1,2,3,4,8,9,10,11-octamethylpentacene

5,5,6,7,7,12,12,13,14,14-decafluoro-1,2,3,4,8,9,10,11-octamethylpentacene (PubChem CID 58854972) has the molecular formula C30H24F10 and a molecular weight of 574.50 g/mol. Its IUPAC name is 5,5,6,7,7,12,12,13,14,14-decafluoro-1,2,3,4,8,9,10,11-octamethylpentacene.

Molecular Properties

Compound Name5,5,6,7,7,12,12,13,14,14-decafluoro-1,2,3,4,8,9,10,11-octamethylpentacene
PubChem CID58854972
Molecular FormulaC30H24F10
Molecular Weight574.50 g/mol
Exact Mass574.17
IUPAC Name5,5,6,7,7,12,12,13,14,14-decafluoro-1,2,3,4,8,9,10,11-octamethylpentacene
SMILESCc1c(C)c(C)c2c(c1C)C(F)(F)c1c(F)c3c(c(F)c1C2(F)F)C(F)(F)c1c(C)c(C)c(C)c(C)c1C3(F)F
InChIInChI=1S/C30H24F10/c1-9-10(2)14(6)18-17(13(9)5)27(33,34)21-22(28(18,35)36)26(32)24-23(25(21)31)29(37,38)19-15(7)11(3)12(4)16(8)20(19)30(24,39)40/h1-8H3
InChIKeyLPTBQBCWRFQMMZ-UHFFFAOYSA-N
XLogP9.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.50
LogP ≤ 59.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5,5,6,7,7,12,12,13,14,14-decafluoro-1,2,3,4,8,9,10,11-octamethylpentacene?
The IUPAC name of 5,5,6,7,7,12,12,13,14,14-decafluoro-1,2,3,4,8,9,10,11-octamethylpentacene (CID 58854972) is 5,5,6,7,7,12,12,13,14,14-decafluoro-1,2,3,4,8,9,10,11-octamethylpentacene.
What is the SMILES notation for 5,5,6,7,7,12,12,13,14,14-decafluoro-1,2,3,4,8,9,10,11-octamethylpentacene?
The canonical SMILES for 5,5,6,7,7,12,12,13,14,14-decafluoro-1,2,3,4,8,9,10,11-octamethylpentacene is Cc1c(C)c(C)c2c(c1C)C(F)(F)c1c(F)c3c(c(F)c1C2(F)F)C(F)(F)c1c(C)c(C)c(C)c(C)c1C3(F)F.
What is the InChIKey of 5,5,6,7,7,12,12,13,14,14-decafluoro-1,2,3,4,8,9,10,11-octamethylpentacene?
The InChIKey is LPTBQBCWRFQMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F10/c1-9-10(2)14(6)18-17(13(9)5)27(33,34)21-22(28(18,35)36)26(32)24-23(25(21)31)29(37,38)19-15(7)11(3)12(4)16(8)20(19)30(24,39)40/h1-8H3.
What are the key properties of 5,5,6,7,7,12,12,13,14,14-decafluoro-1,2,3,4,8,9,10,11-octamethylpentacene?
5,5,6,7,7,12,12,13,14,14-decafluoro-1,2,3,4,8,9,10,11-octamethylpentacene has a molecular weight of 574.50 g/mol, XLogP of 9.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,7,7,12,12,13,14,14-decafluoro-1,2,3,4,8,9,10,11-octamethylpentacene is sourced from PubChem (CID 58854972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).