4,10-bis[4-(trifluoromethyl)phenyl]spiro[5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene-7,9'-fluorene]

C35H18F6S2 — CID 132575450

IUPAC4,10-bis[4-(trifluoromethyl)phenyl]spiro[5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene-7,9'-fluorene]
SMILESFC(F)(F)c1ccc(-c2cc3c(s2)C2(c4ccccc4-c4ccccc42)c2sc(-c4ccc(C(F)(F)F)cc4)cc2-3)cc1
InChIInChI=1S/C35H18F6S2/c36-34(37,38)21-13-9-19(10-14-21)29-17-25-26-18-30(20-11-15-22(16-12-20)35(39,40)41)43-32(26)33(31(25)42-29)27-7-3-1-5-23(27)24-6-2-4-8-28(24)33/h1-18H
InChIKeyFDVXUTWWYAOJND-UHFFFAOYSA-N
MW616.65 g/mol
LogP11.52
Rot. Bonds2

About 4,10-bis[4-(trifluoromethyl)phenyl]spiro[5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene-7,9'-fluorene]

4,10-bis[4-(trifluoromethyl)phenyl]spiro[5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene-7,9'-fluorene] (PubChem CID 132575450) has the molecular formula C35H18F6S2 and a molecular weight of 616.65 g/mol. Its IUPAC name is 4,10-bis[4-(trifluoromethyl)phenyl]spiro[5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene-7,9'-fluorene].

Molecular Properties

Compound Name4,10-bis[4-(trifluoromethyl)phenyl]spiro[5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene-7,9'-fluorene]
PubChem CID132575450
Molecular FormulaC35H18F6S2
Molecular Weight616.65 g/mol
Exact Mass616.08
IUPAC Name4,10-bis[4-(trifluoromethyl)phenyl]spiro[5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene-7,9'-fluorene]
SMILESFC(F)(F)c1ccc(-c2cc3c(s2)C2(c4ccccc4-c4ccccc42)c2sc(-c4ccc(C(F)(F)F)cc4)cc2-3)cc1
InChIInChI=1S/C35H18F6S2/c36-34(37,38)21-13-9-19(10-14-21)29-17-25-26-18-30(20-11-15-22(16-12-20)35(39,40)41)43-32(26)33(31(25)42-29)27-7-3-1-5-23(27)24-6-2-4-8-28(24)33/h1-18H
InChIKeyFDVXUTWWYAOJND-UHFFFAOYSA-N
XLogP11.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.65
LogP ≤ 511.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,10-bis[4-(trifluoromethyl)phenyl]spiro[5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene-7,9'-fluorene] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,10-bis[4-(trifluoromethyl)phenyl]spiro[5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene-7,9'-fluorene]?
The IUPAC name of 4,10-bis[4-(trifluoromethyl)phenyl]spiro[5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene-7,9'-fluorene] (CID 132575450) is 4,10-bis[4-(trifluoromethyl)phenyl]spiro[5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene-7,9'-fluorene].
What is the SMILES notation for 4,10-bis[4-(trifluoromethyl)phenyl]spiro[5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene-7,9'-fluorene]?
The canonical SMILES for 4,10-bis[4-(trifluoromethyl)phenyl]spiro[5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene-7,9'-fluorene] is FC(F)(F)c1ccc(-c2cc3c(s2)C2(c4ccccc4-c4ccccc42)c2sc(-c4ccc(C(F)(F)F)cc4)cc2-3)cc1.
What is the InChIKey of 4,10-bis[4-(trifluoromethyl)phenyl]spiro[5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene-7,9'-fluorene]?
The InChIKey is FDVXUTWWYAOJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H18F6S2/c36-34(37,38)21-13-9-19(10-14-21)29-17-25-26-18-30(20-11-15-22(16-12-20)35(39,40)41)43-32(26)33(31(25)42-29)27-7-3-1-5-23(27)24-6-2-4-8-28(24)33/h1-18H.
What are the key properties of 4,10-bis[4-(trifluoromethyl)phenyl]spiro[5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene-7,9'-fluorene]?
4,10-bis[4-(trifluoromethyl)phenyl]spiro[5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene-7,9'-fluorene] has a molecular weight of 616.65 g/mol, XLogP of 11.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10-bis[4-(trifluoromethyl)phenyl]spiro[5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene-7,9'-fluorene] is sourced from PubChem (CID 132575450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).