2,7,9,9-tetramethyl-4-[2,3,5,6-tetrafluoro-4-(2,7,9,9-tetramethylfluoren-4-yl)phenyl]fluorene

C40H34F4 — CID 58987000

IUPAC2,7,9,9-tetramethyl-4-[2,3,5,6-tetrafluoro-4-(2,7,9,9-tetramethylfluoren-4-yl)phenyl]fluorene
SMILESCc1ccc2c(c1)C(C)(C)c1cc(C)cc(-c3c(F)c(F)c(-c4cc(C)cc5c4-c4ccc(C)cc4C5(C)C)c(F)c3F)c1-2
InChIInChI=1S/C40H34F4/c1-19-9-11-23-27(15-19)39(5,6)29-17-21(3)13-25(31(23)29)33-35(41)37(43)34(38(44)36(33)42)26-14-22(4)18-30-32(26)24-12-10-20(2)16-28(24)40(30,7)8/h9-18H,1-8H3
InChIKeyIAHRJNVPRWRWGM-UHFFFAOYSA-N
MW590.70 g/mol
LogP11.42
Rot. Bonds2

About 2,7,9,9-tetramethyl-4-[2,3,5,6-tetrafluoro-4-(2,7,9,9-tetramethylfluoren-4-yl)phenyl]fluorene

2,7,9,9-tetramethyl-4-[2,3,5,6-tetrafluoro-4-(2,7,9,9-tetramethylfluoren-4-yl)phenyl]fluorene (PubChem CID 58987000) has the molecular formula C40H34F4 and a molecular weight of 590.70 g/mol. Its IUPAC name is 2,7,9,9-tetramethyl-4-[2,3,5,6-tetrafluoro-4-(2,7,9,9-tetramethylfluoren-4-yl)phenyl]fluorene.

Molecular Properties

Compound Name2,7,9,9-tetramethyl-4-[2,3,5,6-tetrafluoro-4-(2,7,9,9-tetramethylfluoren-4-yl)phenyl]fluorene
PubChem CID58987000
Molecular FormulaC40H34F4
Molecular Weight590.70 g/mol
Exact Mass590.26
IUPAC Name2,7,9,9-tetramethyl-4-[2,3,5,6-tetrafluoro-4-(2,7,9,9-tetramethylfluoren-4-yl)phenyl]fluorene
SMILESCc1ccc2c(c1)C(C)(C)c1cc(C)cc(-c3c(F)c(F)c(-c4cc(C)cc5c4-c4ccc(C)cc4C5(C)C)c(F)c3F)c1-2
InChIInChI=1S/C40H34F4/c1-19-9-11-23-27(15-19)39(5,6)29-17-21(3)13-25(31(23)29)33-35(41)37(43)34(38(44)36(33)42)26-14-22(4)18-30-32(26)24-12-10-20(2)16-28(24)40(30,7)8/h9-18H,1-8H3
InChIKeyIAHRJNVPRWRWGM-UHFFFAOYSA-N
XLogP11.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.70
LogP ≤ 511.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,7,9,9-tetramethyl-4-[2,3,5,6-tetrafluoro-4-(2,7,9,9-tetramethylfluoren-4-yl)phenyl]fluorene?
The IUPAC name of 2,7,9,9-tetramethyl-4-[2,3,5,6-tetrafluoro-4-(2,7,9,9-tetramethylfluoren-4-yl)phenyl]fluorene (CID 58987000) is 2,7,9,9-tetramethyl-4-[2,3,5,6-tetrafluoro-4-(2,7,9,9-tetramethylfluoren-4-yl)phenyl]fluorene.
What is the SMILES notation for 2,7,9,9-tetramethyl-4-[2,3,5,6-tetrafluoro-4-(2,7,9,9-tetramethylfluoren-4-yl)phenyl]fluorene?
The canonical SMILES for 2,7,9,9-tetramethyl-4-[2,3,5,6-tetrafluoro-4-(2,7,9,9-tetramethylfluoren-4-yl)phenyl]fluorene is Cc1ccc2c(c1)C(C)(C)c1cc(C)cc(-c3c(F)c(F)c(-c4cc(C)cc5c4-c4ccc(C)cc4C5(C)C)c(F)c3F)c1-2.
What is the InChIKey of 2,7,9,9-tetramethyl-4-[2,3,5,6-tetrafluoro-4-(2,7,9,9-tetramethylfluoren-4-yl)phenyl]fluorene?
The InChIKey is IAHRJNVPRWRWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34F4/c1-19-9-11-23-27(15-19)39(5,6)29-17-21(3)13-25(31(23)29)33-35(41)37(43)34(38(44)36(33)42)26-14-22(4)18-30-32(26)24-12-10-20(2)16-28(24)40(30,7)8/h9-18H,1-8H3.
What are the key properties of 2,7,9,9-tetramethyl-4-[2,3,5,6-tetrafluoro-4-(2,7,9,9-tetramethylfluoren-4-yl)phenyl]fluorene?
2,7,9,9-tetramethyl-4-[2,3,5,6-tetrafluoro-4-(2,7,9,9-tetramethylfluoren-4-yl)phenyl]fluorene has a molecular weight of 590.70 g/mol, XLogP of 11.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,9,9-tetramethyl-4-[2,3,5,6-tetrafluoro-4-(2,7,9,9-tetramethylfluoren-4-yl)phenyl]fluorene is sourced from PubChem (CID 58987000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).