2-[2-(9,9-diethylfluoren-2-yl)-4,5-difluorophenyl]-9,9-diethylfluorene

C40H36F2 — CID 101415282

IUPAC2-[2-(9,9-diethylfluoren-2-yl)-4,5-difluorophenyl]-9,9-diethylfluorene
SMILESCCC1(CC)c2ccccc2-c2ccc(-c3cc(F)c(F)cc3-c3ccc4c(c3)C(CC)(CC)c3ccccc3-4)cc21
InChIInChI=1S/C40H36F2/c1-5-39(6-2)33-15-11-9-13-27(33)29-19-17-25(21-35(29)39)31-23-37(41)38(42)24-32(31)26-18-20-30-28-14-10-12-16-34(28)40(7-3,8-4)36(30)22-26/h9-24H,5-8H2,1-4H3
InChIKeyWZLQBQKZCFJLSZ-UHFFFAOYSA-N
MW554.72 g/mol
LogP11.47
Rot. Bonds6

About 2-[2-(9,9-diethylfluoren-2-yl)-4,5-difluorophenyl]-9,9-diethylfluorene

2-[2-(9,9-diethylfluoren-2-yl)-4,5-difluorophenyl]-9,9-diethylfluorene (PubChem CID 101415282) has the molecular formula C40H36F2 and a molecular weight of 554.72 g/mol. Its IUPAC name is 2-[2-(9,9-diethylfluoren-2-yl)-4,5-difluorophenyl]-9,9-diethylfluorene.

Molecular Properties

Compound Name2-[2-(9,9-diethylfluoren-2-yl)-4,5-difluorophenyl]-9,9-diethylfluorene
PubChem CID101415282
Molecular FormulaC40H36F2
Molecular Weight554.72 g/mol
Exact Mass554.28
IUPAC Name2-[2-(9,9-diethylfluoren-2-yl)-4,5-difluorophenyl]-9,9-diethylfluorene
SMILESCCC1(CC)c2ccccc2-c2ccc(-c3cc(F)c(F)cc3-c3ccc4c(c3)C(CC)(CC)c3ccccc3-4)cc21
InChIInChI=1S/C40H36F2/c1-5-39(6-2)33-15-11-9-13-27(33)29-19-17-25(21-35(29)39)31-23-37(41)38(42)24-32(31)26-18-20-30-28-14-10-12-16-34(28)40(7-3,8-4)36(30)22-26/h9-24H,5-8H2,1-4H3
InChIKeyWZLQBQKZCFJLSZ-UHFFFAOYSA-N
XLogP11.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.72
LogP ≤ 511.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(9,9-diethylfluoren-2-yl)-4,5-difluorophenyl]-9,9-diethylfluorene?
The IUPAC name of 2-[2-(9,9-diethylfluoren-2-yl)-4,5-difluorophenyl]-9,9-diethylfluorene (CID 101415282) is 2-[2-(9,9-diethylfluoren-2-yl)-4,5-difluorophenyl]-9,9-diethylfluorene.
What is the SMILES notation for 2-[2-(9,9-diethylfluoren-2-yl)-4,5-difluorophenyl]-9,9-diethylfluorene?
The canonical SMILES for 2-[2-(9,9-diethylfluoren-2-yl)-4,5-difluorophenyl]-9,9-diethylfluorene is CCC1(CC)c2ccccc2-c2ccc(-c3cc(F)c(F)cc3-c3ccc4c(c3)C(CC)(CC)c3ccccc3-4)cc21.
What is the InChIKey of 2-[2-(9,9-diethylfluoren-2-yl)-4,5-difluorophenyl]-9,9-diethylfluorene?
The InChIKey is WZLQBQKZCFJLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36F2/c1-5-39(6-2)33-15-11-9-13-27(33)29-19-17-25(21-35(29)39)31-23-37(41)38(42)24-32(31)26-18-20-30-28-14-10-12-16-34(28)40(7-3,8-4)36(30)22-26/h9-24H,5-8H2,1-4H3.
What are the key properties of 2-[2-(9,9-diethylfluoren-2-yl)-4,5-difluorophenyl]-9,9-diethylfluorene?
2-[2-(9,9-diethylfluoren-2-yl)-4,5-difluorophenyl]-9,9-diethylfluorene has a molecular weight of 554.72 g/mol, XLogP of 11.47, 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)-4,5-difluorophenyl]-9,9-diethylfluorene is sourced from PubChem (CID 101415282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).