3,5-diphenyl-6-[4-(2-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)phenyl]-1,2,4-triazine

C52H33N3S — CID 163635762

IUPAC3,5-diphenyl-6-[4-(2-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)phenyl]-1,2,4-triazine
SMILESc1ccc(-c2nnc(-c3ccc(-c4ccccc4-c4ccc5c(c4)C4(c6ccccc6S5)c5ccccc5-c5ccccc54)cc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C52H33N3S/c1-3-15-35(16-4-1)49-50(54-55-51(53-49)37-17-5-2-6-18-37)36-29-27-34(28-30-36)39-19-7-8-20-40(39)38-31-32-48-46(33-38)52(45-25-13-14-26-47(45)56-48)43-23-11-9-21-41(43)42-22-10-12-24-44(42)52/h1-33H
InChIKeyHZZDSAFRSNNXGH-UHFFFAOYSA-N
MW731.92 g/mol
LogP13.03
Rot. Bonds5

About 3,5-diphenyl-6-[4-(2-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)phenyl]-1,2,4-triazine

3,5-diphenyl-6-[4-(2-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)phenyl]-1,2,4-triazine (PubChem CID 163635762) has the molecular formula C52H33N3S and a molecular weight of 731.92 g/mol. Its IUPAC name is 3,5-diphenyl-6-[4-(2-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)phenyl]-1,2,4-triazine.

Molecular Properties

Compound Name3,5-diphenyl-6-[4-(2-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)phenyl]-1,2,4-triazine
PubChem CID163635762
Molecular FormulaC52H33N3S
Molecular Weight731.92 g/mol
Exact Mass731.24
IUPAC Name3,5-diphenyl-6-[4-(2-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)phenyl]-1,2,4-triazine
SMILESc1ccc(-c2nnc(-c3ccc(-c4ccccc4-c4ccc5c(c4)C4(c6ccccc6S5)c5ccccc5-c5ccccc54)cc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C52H33N3S/c1-3-15-35(16-4-1)49-50(54-55-51(53-49)37-17-5-2-6-18-37)36-29-27-34(28-30-36)39-19-7-8-20-40(39)38-31-32-48-46(33-38)52(45-25-13-14-26-47(45)56-48)43-23-11-9-21-41(43)42-22-10-12-24-44(42)52/h1-33H
InChIKeyHZZDSAFRSNNXGH-UHFFFAOYSA-N
XLogP13.03
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.92
LogP ≤ 513.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-4-(4-phenylphenyl)-6-(2-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)pyrimidine
CID 166737907
4-phenyl-2-(4-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)quinazoline
CID 142469839
4-phenyl-2-spiro[fluorene-9,9'-thioxanthene]-2'-ylquinazoline
CID 167178363
2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(2-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)-1,3,5-triazine
CID 146326926
2,4-diphenyl-6-[3-(3-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)phenyl]pyrimidine
CID 166738191
2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazine
CID 139307428
2-(4-phenylphenyl)-4-(4-spiro[fluorene-9,9'-thioxanthene]-2-ylphenyl)quinazoline;4-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-thioxanthene]-2-ylphenyl)quinazoline;4-phenyl-2-(4-spiro[fluorene-9,9'-thioxanthene]-2-ylphenyl)quinazoline
CID 158243649
4-phenyl-2-(4-spiro[fluorene-9,9'-thioxanthene]-2-ylphenyl)quinazoline
CID 139306466
2-naphthalen-2-yl-4-phenyl-6-(3-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)-1,3,5-triazine
CID 146327029
2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-2'-yl-1,3,5-triazine
CID 166738068
4,6-bis(4-phenylphenyl)-2-[6'-[3-[4-(6-phenyl-2-spiro[fluorene-9,9'-thioxanthene]-2'-ylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]pyrimidine
CID 166737876
2-[3-(4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-2'-yl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 167287105

Frequently Asked Questions

What is the IUPAC name of 3,5-diphenyl-6-[4-(2-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)phenyl]-1,2,4-triazine?
The IUPAC name of 3,5-diphenyl-6-[4-(2-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)phenyl]-1,2,4-triazine (CID 163635762) is 3,5-diphenyl-6-[4-(2-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)phenyl]-1,2,4-triazine.
What is the SMILES notation for 3,5-diphenyl-6-[4-(2-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)phenyl]-1,2,4-triazine?
The canonical SMILES for 3,5-diphenyl-6-[4-(2-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)phenyl]-1,2,4-triazine is c1ccc(-c2nnc(-c3ccc(-c4ccccc4-c4ccc5c(c4)C4(c6ccccc6S5)c5ccccc5-c5ccccc54)cc3)c(-c3ccccc3)n2)cc1.
What is the InChIKey of 3,5-diphenyl-6-[4-(2-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)phenyl]-1,2,4-triazine?
The InChIKey is HZZDSAFRSNNXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3S/c1-3-15-35(16-4-1)49-50(54-55-51(53-49)37-17-5-2-6-18-37)36-29-27-34(28-30-36)39-19-7-8-20-40(39)38-31-32-48-46(33-38)52(45-25-13-14-26-47(45)56-48)43-23-11-9-21-41(43)42-22-10-12-24-44(42)52/h1-33H.
What are the key properties of 3,5-diphenyl-6-[4-(2-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)phenyl]-1,2,4-triazine?
3,5-diphenyl-6-[4-(2-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)phenyl]-1,2,4-triazine has a molecular weight of 731.92 g/mol, XLogP of 13.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diphenyl-6-[4-(2-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)phenyl]-1,2,4-triazine is sourced from PubChem (CID 163635762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).