2,2-diphenyl-4-(trifluoromethylsulfanyl)chromene

C44H30F6O2S2 — CID 139048433

IUPAC2,2-diphenyl-4-(trifluoromethylsulfanyl)chromene
SMILESFC(F)(F)SC1=CC(c2ccccc2)(c2ccccc2)Oc2ccccc21.FC(F)(F)SC1=CC(c2ccccc2)(c2ccccc2)Oc2ccccc21
InChIInChI=1S/2C22H15F3OS/c2*23-22(24,25)27-20-15-21(16-9-3-1-4-10-16,17-11-5-2-6-12-17)26-19-14-8-7-13-18(19)20/h2*1-15H
InChIKeyVMUYOJCTVJXKMZ-UHFFFAOYSA-N
MW768.84 g/mol
LogP13.23
Rot. Bonds6

About 2,2-diphenyl-4-(trifluoromethylsulfanyl)chromene

2,2-diphenyl-4-(trifluoromethylsulfanyl)chromene (PubChem CID 139048433) has the molecular formula C44H30F6O2S2 and a molecular weight of 768.84 g/mol. Its IUPAC name is 2,2-diphenyl-4-(trifluoromethylsulfanyl)chromene.

Molecular Properties

Compound Name2,2-diphenyl-4-(trifluoromethylsulfanyl)chromene
PubChem CID139048433
Molecular FormulaC44H30F6O2S2
Molecular Weight768.84 g/mol
Exact Mass768.16
IUPAC Name2,2-diphenyl-4-(trifluoromethylsulfanyl)chromene
SMILESFC(F)(F)SC1=CC(c2ccccc2)(c2ccccc2)Oc2ccccc21.FC(F)(F)SC1=CC(c2ccccc2)(c2ccccc2)Oc2ccccc21
InChIInChI=1S/2C22H15F3OS/c2*23-22(24,25)27-20-15-21(16-9-3-1-4-10-16,17-11-5-2-6-12-17)26-19-14-8-7-13-18(19)20/h2*1-15H
InChIKeyVMUYOJCTVJXKMZ-UHFFFAOYSA-N
XLogP13.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.84
LogP ≤ 513.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,4,5-tetrafluoro-3-[4-[(Z)-2-phenyl-1-(4-phenylmethoxyphenyl)but-1-enyl]phenoxy]-6-(trifluoromethyl)benzene
CID 11734811
2,2-Bis[4-(1-naphthoxy)phenyl]hexafluoropropane
CID 19879616
1,6-Bis(phenoxyphenyl)perfluorohexane
CID 88470078
1,2,4,5-tetrafluoro-3-[4-[(E)-2-phenyl-1-(4-phenylmethoxyphenyl)but-1-enyl]phenoxy]-6-(trifluoromethyl)benzene
CID 11050400
1-(Trifluoromethyl)-2-[2-[2-[2-(trifluoromethyl)phenoxy]phenyl]phenoxy]benzene
CID 90828421
4-[3-(Trifluoromethyl)phenyl]spiro[chromene-2,1'-cyclohexane]
CID 134864286
3,3-Diphenyl-1-(trifluoromethylsulfanyl)benzo[f]chromene
CID 139048435
2,2-Bis(2-methoxyphenyl)-4-(trifluoromethylsulfanyl)chromene;chloroform
CID 139048437
Dispiro[xanthene-9,2'-thiirane-3',9''-xanthene]
CID 347642
Tetraphenyl-1,2-diphenoxyethane
CID 10164874
8,21-Dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene
CID 11850801
Xanthyldisulfid
CID 129889694

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-4-(trifluoromethylsulfanyl)chromene?
The IUPAC name of 2,2-diphenyl-4-(trifluoromethylsulfanyl)chromene (CID 139048433) is 2,2-diphenyl-4-(trifluoromethylsulfanyl)chromene.
What is the SMILES notation for 2,2-diphenyl-4-(trifluoromethylsulfanyl)chromene?
The canonical SMILES for 2,2-diphenyl-4-(trifluoromethylsulfanyl)chromene is FC(F)(F)SC1=CC(c2ccccc2)(c2ccccc2)Oc2ccccc21.FC(F)(F)SC1=CC(c2ccccc2)(c2ccccc2)Oc2ccccc21.
What is the InChIKey of 2,2-diphenyl-4-(trifluoromethylsulfanyl)chromene?
The InChIKey is VMUYOJCTVJXKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H15F3OS/c2*23-22(24,25)27-20-15-21(16-9-3-1-4-10-16,17-11-5-2-6-12-17)26-19-14-8-7-13-18(19)20/h2*1-15H.
What are the key properties of 2,2-diphenyl-4-(trifluoromethylsulfanyl)chromene?
2,2-diphenyl-4-(trifluoromethylsulfanyl)chromene has a molecular weight of 768.84 g/mol, XLogP of 13.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-4-(trifluoromethylsulfanyl)chromene is sourced from PubChem (CID 139048433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).