2-[2-(9,9-diethylfluoren-2-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-9,9-diethylfluorene

C39H34F6 — CID 101415280

IUPAC2-[2-(9,9-diethylfluoren-2-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-9,9-diethylfluorene
SMILESCCC1(CC)c2ccccc2-c2ccc(C3=C(c4ccc5c(c4)C(CC)(CC)c4ccccc4-5)C(F)(F)C(F)(F)C3(F)F)cc21
InChIInChI=1S/C39H34F6/c1-5-35(6-2)29-15-11-9-13-25(29)27-19-17-23(21-31(27)35)33-34(38(42,43)39(44,45)37(33,40)41)24-18-20-28-26-14-10-12-16-30(26)36(7-3,8-4)32(28)22-24/h9-22H,5-8H2,1-4H3
InChIKeyAKEJPIWBLKXBDV-UHFFFAOYSA-N
MW616.69 g/mol
LogP11.69
Rot. Bonds6

About 2-[2-(9,9-diethylfluoren-2-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-9,9-diethylfluorene

2-[2-(9,9-diethylfluoren-2-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-9,9-diethylfluorene (PubChem CID 101415280) has the molecular formula C39H34F6 and a molecular weight of 616.69 g/mol. Its IUPAC name is 2-[2-(9,9-diethylfluoren-2-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-9,9-diethylfluorene.

Molecular Properties

Compound Name2-[2-(9,9-diethylfluoren-2-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-9,9-diethylfluorene
PubChem CID101415280
Molecular FormulaC39H34F6
Molecular Weight616.69 g/mol
Exact Mass616.26
IUPAC Name2-[2-(9,9-diethylfluoren-2-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-9,9-diethylfluorene
SMILESCCC1(CC)c2ccccc2-c2ccc(C3=C(c4ccc5c(c4)C(CC)(CC)c4ccccc4-5)C(F)(F)C(F)(F)C3(F)F)cc21
InChIInChI=1S/C39H34F6/c1-5-35(6-2)29-15-11-9-13-25(29)27-19-17-23(21-31(27)35)33-34(38(42,43)39(44,45)37(33,40)41)24-18-20-28-26-14-10-12-16-30(26)36(7-3,8-4)32(28)22-24/h9-22H,5-8H2,1-4H3
InChIKeyAKEJPIWBLKXBDV-UHFFFAOYSA-N
XLogP11.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.69
LogP ≤ 511.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(9,9-diethylfluoren-2-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-9,9-diethylfluorene?
The IUPAC name of 2-[2-(9,9-diethylfluoren-2-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-9,9-diethylfluorene (CID 101415280) is 2-[2-(9,9-diethylfluoren-2-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-9,9-diethylfluorene.
What is the SMILES notation for 2-[2-(9,9-diethylfluoren-2-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-9,9-diethylfluorene?
The canonical SMILES for 2-[2-(9,9-diethylfluoren-2-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-9,9-diethylfluorene is CCC1(CC)c2ccccc2-c2ccc(C3=C(c4ccc5c(c4)C(CC)(CC)c4ccccc4-5)C(F)(F)C(F)(F)C3(F)F)cc21.
What is the InChIKey of 2-[2-(9,9-diethylfluoren-2-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-9,9-diethylfluorene?
The InChIKey is AKEJPIWBLKXBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H34F6/c1-5-35(6-2)29-15-11-9-13-25(29)27-19-17-23(21-31(27)35)33-34(38(42,43)39(44,45)37(33,40)41)24-18-20-28-26-14-10-12-16-30(26)36(7-3,8-4)32(28)22-24/h9-22H,5-8H2,1-4H3.
What are the key properties of 2-[2-(9,9-diethylfluoren-2-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-9,9-diethylfluorene?
2-[2-(9,9-diethylfluoren-2-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-9,9-diethylfluorene has a molecular weight of 616.69 g/mol, XLogP of 11.69, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(9,9-diethylfluoren-2-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-9,9-diethylfluorene is sourced from PubChem (CID 101415280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).