2-[4-(9,9-dimethylfluoren-2-yl)-2,3,5,6-tetrafluorophenyl]-9,9-dimethylfluorene

C36H26F4 — CID 134942678

IUPAC2-[4-(9,9-dimethylfluoren-2-yl)-2,3,5,6-tetrafluorophenyl]-9,9-dimethylfluorene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c(F)c(F)c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c(F)c3F)cc21
InChIInChI=1S/C36H26F4/c1-35(2)25-11-7-5-9-21(25)23-15-13-19(17-27(23)35)29-31(37)33(39)30(34(40)32(29)38)20-14-16-24-22-10-6-8-12-26(22)36(3,4)28(24)18-20/h5-18H,1-4H3
InChIKeyOWHJPFWYGFKUSK-UHFFFAOYSA-N
MW534.60 g/mol
LogP10.19
Rot. Bonds2

About 2-[4-(9,9-dimethylfluoren-2-yl)-2,3,5,6-tetrafluorophenyl]-9,9-dimethylfluorene

2-[4-(9,9-dimethylfluoren-2-yl)-2,3,5,6-tetrafluorophenyl]-9,9-dimethylfluorene (PubChem CID 134942678) has the molecular formula C36H26F4 and a molecular weight of 534.60 g/mol. Its IUPAC name is 2-[4-(9,9-dimethylfluoren-2-yl)-2,3,5,6-tetrafluorophenyl]-9,9-dimethylfluorene.

Molecular Properties

Compound Name2-[4-(9,9-dimethylfluoren-2-yl)-2,3,5,6-tetrafluorophenyl]-9,9-dimethylfluorene
PubChem CID134942678
Molecular FormulaC36H26F4
Molecular Weight534.60 g/mol
Exact Mass534.20
IUPAC Name2-[4-(9,9-dimethylfluoren-2-yl)-2,3,5,6-tetrafluorophenyl]-9,9-dimethylfluorene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c(F)c(F)c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c(F)c3F)cc21
InChIInChI=1S/C36H26F4/c1-35(2)25-11-7-5-9-21(25)23-15-13-19(17-27(23)35)29-31(37)33(39)30(34(40)32(29)38)20-14-16-24-22-10-6-8-12-26(22)36(3,4)28(24)18-20/h5-18H,1-4H3
InChIKeyOWHJPFWYGFKUSK-UHFFFAOYSA-N
XLogP10.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.60
LogP ≤ 510.19
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-[4-(9,9-dimethylfluoren-2-yl)-2,3,5,6-tetrafluorophenyl]-9,9-dimethylfluorene?
The IUPAC name of 2-[4-(9,9-dimethylfluoren-2-yl)-2,3,5,6-tetrafluorophenyl]-9,9-dimethylfluorene (CID 134942678) is 2-[4-(9,9-dimethylfluoren-2-yl)-2,3,5,6-tetrafluorophenyl]-9,9-dimethylfluorene.
What is the SMILES notation for 2-[4-(9,9-dimethylfluoren-2-yl)-2,3,5,6-tetrafluorophenyl]-9,9-dimethylfluorene?
The canonical SMILES for 2-[4-(9,9-dimethylfluoren-2-yl)-2,3,5,6-tetrafluorophenyl]-9,9-dimethylfluorene is CC1(C)c2ccccc2-c2ccc(-c3c(F)c(F)c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c(F)c3F)cc21.
What is the InChIKey of 2-[4-(9,9-dimethylfluoren-2-yl)-2,3,5,6-tetrafluorophenyl]-9,9-dimethylfluorene?
The InChIKey is OWHJPFWYGFKUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26F4/c1-35(2)25-11-7-5-9-21(25)23-15-13-19(17-27(23)35)29-31(37)33(39)30(34(40)32(29)38)20-14-16-24-22-10-6-8-12-26(22)36(3,4)28(24)18-20/h5-18H,1-4H3.
What are the key properties of 2-[4-(9,9-dimethylfluoren-2-yl)-2,3,5,6-tetrafluorophenyl]-9,9-dimethylfluorene?
2-[4-(9,9-dimethylfluoren-2-yl)-2,3,5,6-tetrafluorophenyl]-9,9-dimethylfluorene has a molecular weight of 534.60 g/mol, XLogP of 10.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9,9-dimethylfluoren-2-yl)-2,3,5,6-tetrafluorophenyl]-9,9-dimethylfluorene is sourced from PubChem (CID 134942678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).