2,3-diphenyl-1-(4-phenylsulfanylphenyl)-9H-fluorene;fluoroform;1,1,2,2,2-pentafluoroethyl dihydrogen phosphate

C40H29F8O4PS — CID 161234986

IUPAC2,3-diphenyl-1-(4-phenylsulfanylphenyl)-9H-fluorene;fluoroform;1,1,2,2,2-pentafluoroethyl dihydrogen phosphate
SMILESFC(F)F.O=P(O)(O)OC(F)(F)C(F)(F)F.c1ccc(Sc2ccc(-c3c4c(cc(-c5ccccc5)c3-c3ccccc3)-c3ccccc3C4)cc2)cc1
InChIInChI=1S/C37H26S.C2H2F5O4P.CHF3/c1-4-12-26(13-5-1)33-25-34-32-19-11-10-16-29(32)24-35(34)37(36(33)27-14-6-2-7-15-27)28-20-22-31(23-21-28)38-30-17-8-3-9-18-30;3-1(4,5)2(6,7)11-12(8,9)10;2-1(3)4/h1-23,25H,24H2;(H2,8,9,10);1H
InChIKeyUZGAUMAXFOGTHD-UHFFFAOYSA-N
MW788.69 g/mol
LogP12.84
Rot. Bonds7

About 2,3-diphenyl-1-(4-phenylsulfanylphenyl)-9H-fluorene;fluoroform;1,1,2,2,2-pentafluoroethyl dihydrogen phosphate

2,3-diphenyl-1-(4-phenylsulfanylphenyl)-9H-fluorene;fluoroform;1,1,2,2,2-pentafluoroethyl dihydrogen phosphate (PubChem CID 161234986) has the molecular formula C40H29F8O4PS and a molecular weight of 788.69 g/mol. Its IUPAC name is 2,3-diphenyl-1-(4-phenylsulfanylphenyl)-9H-fluorene;fluoroform;1,1,2,2,2-pentafluoroethyl dihydrogen phosphate.

Molecular Properties

Compound Name2,3-diphenyl-1-(4-phenylsulfanylphenyl)-9H-fluorene;fluoroform;1,1,2,2,2-pentafluoroethyl dihydrogen phosphate
PubChem CID161234986
Molecular FormulaC40H29F8O4PS
Molecular Weight788.69 g/mol
Exact Mass788.14
IUPAC Name2,3-diphenyl-1-(4-phenylsulfanylphenyl)-9H-fluorene;fluoroform;1,1,2,2,2-pentafluoroethyl dihydrogen phosphate
SMILESFC(F)F.O=P(O)(O)OC(F)(F)C(F)(F)F.c1ccc(Sc2ccc(-c3c4c(cc(-c5ccccc5)c3-c3ccccc3)-c3ccccc3C4)cc2)cc1
InChIInChI=1S/C37H26S.C2H2F5O4P.CHF3/c1-4-12-26(13-5-1)33-25-34-32-19-11-10-16-29(32)24-35(34)37(36(33)27-14-6-2-7-15-27)28-20-22-31(23-21-28)38-30-17-8-3-9-18-30;3-1(4,5)2(6,7)11-12(8,9)10;2-1(3)4/h1-23,25H,24H2;(H2,8,9,10);1H
InChIKeyUZGAUMAXFOGTHD-UHFFFAOYSA-N
XLogP12.84
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.69
LogP ≤ 512.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-diphenyl-1-[4-(trifluoromethyl)phenyl]-9H-fluorene
CID 151214779
1-[2-(2,3-diphenyl-9H-fluoren-1-yl)ethenyl]-2,3-diphenyl-9H-fluorene
CID 150549233
4-methylbenzenesulfonic acid;3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,2-diphenyl-9H-fluorene
CID 172859889
2,3-bis(3,5-dimethylphenyl)-1-(4-fluorophenyl)-9H-fluorene
CID 151991768
1,2,3,4-tetraphenyl-9H-fluorene;trifluoromethanesulfonic acid
CID 158607547
1-phenyl-2-(4-phenylsulfanylphenyl)benzene
CID 21416504
1-(9H-fluoren-9-yl)-2,3-diphenyl-9H-fluorene
CID 150323539
1,1'-biphenyl;4-[1-(4-hydroxyphenyl)-9H-fluoren-2-yl]phenol
CID 174876060
2-fluoro-1-phenyl-9H-fluorene
CID 151671400
1,2-diphenyl-3-propyl-9H-fluorene
CID 174971839
1-(4-aminophenyl)-9H-fluorene-3-carboxylic acid
CID 172783159
1,2-diphenyl-9H-fluorene;propanoic acid
CID 174827621

Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-1-(4-phenylsulfanylphenyl)-9H-fluorene;fluoroform;1,1,2,2,2-pentafluoroethyl dihydrogen phosphate?
The IUPAC name of 2,3-diphenyl-1-(4-phenylsulfanylphenyl)-9H-fluorene;fluoroform;1,1,2,2,2-pentafluoroethyl dihydrogen phosphate (CID 161234986) is 2,3-diphenyl-1-(4-phenylsulfanylphenyl)-9H-fluorene;fluoroform;1,1,2,2,2-pentafluoroethyl dihydrogen phosphate.
What is the SMILES notation for 2,3-diphenyl-1-(4-phenylsulfanylphenyl)-9H-fluorene;fluoroform;1,1,2,2,2-pentafluoroethyl dihydrogen phosphate?
The canonical SMILES for 2,3-diphenyl-1-(4-phenylsulfanylphenyl)-9H-fluorene;fluoroform;1,1,2,2,2-pentafluoroethyl dihydrogen phosphate is FC(F)F.O=P(O)(O)OC(F)(F)C(F)(F)F.c1ccc(Sc2ccc(-c3c4c(cc(-c5ccccc5)c3-c3ccccc3)-c3ccccc3C4)cc2)cc1.
What is the InChIKey of 2,3-diphenyl-1-(4-phenylsulfanylphenyl)-9H-fluorene;fluoroform;1,1,2,2,2-pentafluoroethyl dihydrogen phosphate?
The InChIKey is UZGAUMAXFOGTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26S.C2H2F5O4P.CHF3/c1-4-12-26(13-5-1)33-25-34-32-19-11-10-16-29(32)24-35(34)37(36(33)27-14-6-2-7-15-27)28-20-22-31(23-21-28)38-30-17-8-3-9-18-30;3-1(4,5)2(6,7)11-12(8,9)10;2-1(3)4/h1-23,25H,24H2;(H2,8,9,10);1H.
What are the key properties of 2,3-diphenyl-1-(4-phenylsulfanylphenyl)-9H-fluorene;fluoroform;1,1,2,2,2-pentafluoroethyl dihydrogen phosphate?
2,3-diphenyl-1-(4-phenylsulfanylphenyl)-9H-fluorene;fluoroform;1,1,2,2,2-pentafluoroethyl dihydrogen phosphate has a molecular weight of 788.69 g/mol, XLogP of 12.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-1-(4-phenylsulfanylphenyl)-9H-fluorene;fluoroform;1,1,2,2,2-pentafluoroethyl dihydrogen phosphate is sourced from PubChem (CID 161234986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).