1,2,3,4,6,7,8,9-octafluoro-5,10-diphenylindeno[2,1-a]indene

C28H10F8 — CID 86276309

IUPAC1,2,3,4,6,7,8,9-octafluoro-5,10-diphenylindeno[2,1-a]indene
SMILESFc1c(F)c(F)c2c(c1F)C1=C(c3ccccc3)c3c(F)c(F)c(F)c(F)c3C1=C2c1ccccc1
InChIInChI=1S/C28H10F8/c29-21-17-13(11-7-3-1-4-8-11)15-16(20(17)24(32)28(36)25(21)33)14(12-9-5-2-6-10-12)18-19(15)23(31)27(35)26(34)22(18)30/h1-10H
InChIKeyDRXCWIXUPNHTBO-UHFFFAOYSA-N
MW498.37 g/mol
LogP8.04
Rot. Bonds2

About 1,2,3,4,6,7,8,9-octafluoro-5,10-diphenylindeno[2,1-a]indene

1,2,3,4,6,7,8,9-octafluoro-5,10-diphenylindeno[2,1-a]indene (PubChem CID 86276309) has the molecular formula C28H10F8 and a molecular weight of 498.37 g/mol. Its IUPAC name is 1,2,3,4,6,7,8,9-octafluoro-5,10-diphenylindeno[2,1-a]indene.

Molecular Properties

Compound Name1,2,3,4,6,7,8,9-octafluoro-5,10-diphenylindeno[2,1-a]indene
PubChem CID86276309
Molecular FormulaC28H10F8
Molecular Weight498.37 g/mol
Exact Mass498.07
IUPAC Name1,2,3,4,6,7,8,9-octafluoro-5,10-diphenylindeno[2,1-a]indene
SMILESFc1c(F)c(F)c2c(c1F)C1=C(c3ccccc3)c3c(F)c(F)c(F)c(F)c3C1=C2c1ccccc1
InChIInChI=1S/C28H10F8/c29-21-17-13(11-7-3-1-4-8-11)15-16(20(17)24(32)28(36)25(21)33)14(12-9-5-2-6-10-12)18-19(15)23(31)27(35)26(34)22(18)30/h1-10H
InChIKeyDRXCWIXUPNHTBO-UHFFFAOYSA-N
XLogP8.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.37
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

o-Quaterphenyl
CID 12549
1,1,3-Triphenylindene
CID 423586
9H-Fluorene, 9-(9H-fluoren-9-ylidene)-
CID 136564
2',3,4,5-Tetrafluoro-4'''-propyl-1,1':4',1'':4'',1'''-quaterphenyl
CID 57981392
Triphenylmethylium tetrakis(pentafluorophenyl)borate
CID 9832824
2~4~,2~5~-Difluoro-1~1~,2~1~:2~2~,3~1~-terphenyl
CID 12635519
2,3-Diphenyl-1H-indene
CID 220298
1-fluoro-4-[(Z)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]benzene
CID 21274975
1-Fluoro-4-(3,3,3-trifluoro-1,1-diphenylprop-1-en-2-yl)benzene
CID 44383155
2',3,4,5-Tetrafluoro-4'''-pentyl-1,1':4',1'':4'',1'''-quaterphenyl
CID 57981378
2',3,4,5-Tetrafluoro-4''-(4-propylcyclohexyl)-1,1':4',1''-terphenyl
CID 85829380
2',3,4,5-Tetrafluoro-4''-(4-pentylcyclohexyl)-1,1':4',1''-terphenyl
CID 85829386

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,6,7,8,9-octafluoro-5,10-diphenylindeno[2,1-a]indene?
The IUPAC name of 1,2,3,4,6,7,8,9-octafluoro-5,10-diphenylindeno[2,1-a]indene (CID 86276309) is 1,2,3,4,6,7,8,9-octafluoro-5,10-diphenylindeno[2,1-a]indene.
What is the SMILES notation for 1,2,3,4,6,7,8,9-octafluoro-5,10-diphenylindeno[2,1-a]indene?
The canonical SMILES for 1,2,3,4,6,7,8,9-octafluoro-5,10-diphenylindeno[2,1-a]indene is Fc1c(F)c(F)c2c(c1F)C1=C(c3ccccc3)c3c(F)c(F)c(F)c(F)c3C1=C2c1ccccc1.
What is the InChIKey of 1,2,3,4,6,7,8,9-octafluoro-5,10-diphenylindeno[2,1-a]indene?
The InChIKey is DRXCWIXUPNHTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H10F8/c29-21-17-13(11-7-3-1-4-8-11)15-16(20(17)24(32)28(36)25(21)33)14(12-9-5-2-6-10-12)18-19(15)23(31)27(35)26(34)22(18)30/h1-10H.
What are the key properties of 1,2,3,4,6,7,8,9-octafluoro-5,10-diphenylindeno[2,1-a]indene?
1,2,3,4,6,7,8,9-octafluoro-5,10-diphenylindeno[2,1-a]indene has a molecular weight of 498.37 g/mol, XLogP of 8.04, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,6,7,8,9-octafluoro-5,10-diphenylindeno[2,1-a]indene is sourced from PubChem (CID 86276309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).