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

C51H32N4S — CID 139306538

IUPAC2-phenyl-4-(4-pyridin-4-ylphenyl)-6-(4-spiro[fluorene-9,9'-thioxanthene]-1-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccncc4)cc3)nc(-c3ccc(-c4cccc5c4C4(c6ccccc6Sc6ccccc64)c4ccccc4-5)cc3)n2)cc1
InChIInChI=1S/C51H32N4S/c1-2-11-36(12-3-1)48-53-49(37-25-21-33(22-26-37)34-29-31-52-32-30-34)55-50(54-48)38-27-23-35(24-28-38)39-14-10-15-41-40-13-4-5-16-42(40)51(47(39)41)43-17-6-8-19-45(43)56-46-20-9-7-18-44(46)51/h1-32H
InChIKeyQFMVXOJXBUJZLE-UHFFFAOYSA-N
MW732.91 g/mol
LogP12.43
Rot. Bonds5

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

2-phenyl-4-(4-pyridin-4-ylphenyl)-6-(4-spiro[fluorene-9,9'-thioxanthene]-1-ylphenyl)-1,3,5-triazine (PubChem CID 139306538) has the molecular formula C51H32N4S and a molecular weight of 732.91 g/mol. Its IUPAC name is 2-phenyl-4-(4-pyridin-4-ylphenyl)-6-(4-spiro[fluorene-9,9'-thioxanthene]-1-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-(4-pyridin-4-ylphenyl)-6-(4-spiro[fluorene-9,9'-thioxanthene]-1-ylphenyl)-1,3,5-triazine
PubChem CID139306538
Molecular FormulaC51H32N4S
Molecular Weight732.91 g/mol
Exact Mass732.23
IUPAC Name2-phenyl-4-(4-pyridin-4-ylphenyl)-6-(4-spiro[fluorene-9,9'-thioxanthene]-1-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccncc4)cc3)nc(-c3ccc(-c4cccc5c4C4(c6ccccc6Sc6ccccc64)c4ccccc4-5)cc3)n2)cc1
InChIInChI=1S/C51H32N4S/c1-2-11-36(12-3-1)48-53-49(37-25-21-33(22-26-37)34-29-31-52-32-30-34)55-50(54-48)38-27-23-35(24-28-38)39-14-10-15-41-40-13-4-5-16-42(40)51(47(39)41)43-17-6-8-19-45(43)56-46-20-9-7-18-44(46)51/h1-32H
InChIKeyQFMVXOJXBUJZLE-UHFFFAOYSA-N
XLogP12.43
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.91
LogP ≤ 512.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-thioxanthene]-4'-ylphenyl)-1,3,5-triazine
CID 142469864
2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazine
CID 139307428
2-phenyl-4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-thioxanthene]-3'-ylphenyl)-1,3,5-triazine
CID 166738043
2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazine
CID 155767852
2-phenyl-4-(2-phenylphenyl)-6-(9,9'-spirobi[fluorene]-1-yl)-1,3,5-triazine
CID 146649119
2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine
CID 153049310
2-(3,5-diphenylphenyl)-4-(3-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]-1,3,5-triazine
CID 146648923
2-phenyl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine
CID 146326974
8-[4-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]thioxanthen-9-yl]phenyl]isoquinoline
CID 164793220
2,4-diphenyl-6-[3-(4-spiro[fluorene-9,9'-thioxanthene]-4'-ylphenyl)phenyl]-1,3,5-triazine
CID 146326981
2-(4-phenylphenyl)-4-(4-pyridin-4-ylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 146633327
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-1'-yl-1,3,5-triazine
CID 166737827

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(4-pyridin-4-ylphenyl)-6-(4-spiro[fluorene-9,9'-thioxanthene]-1-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-(4-pyridin-4-ylphenyl)-6-(4-spiro[fluorene-9,9'-thioxanthene]-1-ylphenyl)-1,3,5-triazine (CID 139306538) is 2-phenyl-4-(4-pyridin-4-ylphenyl)-6-(4-spiro[fluorene-9,9'-thioxanthene]-1-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-(4-pyridin-4-ylphenyl)-6-(4-spiro[fluorene-9,9'-thioxanthene]-1-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-(4-pyridin-4-ylphenyl)-6-(4-spiro[fluorene-9,9'-thioxanthene]-1-ylphenyl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(-c4ccncc4)cc3)nc(-c3ccc(-c4cccc5c4C4(c6ccccc6Sc6ccccc64)c4ccccc4-5)cc3)n2)cc1.
What is the InChIKey of 2-phenyl-4-(4-pyridin-4-ylphenyl)-6-(4-spiro[fluorene-9,9'-thioxanthene]-1-ylphenyl)-1,3,5-triazine?
The InChIKey is QFMVXOJXBUJZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4S/c1-2-11-36(12-3-1)48-53-49(37-25-21-33(22-26-37)34-29-31-52-32-30-34)55-50(54-48)38-27-23-35(24-28-38)39-14-10-15-41-40-13-4-5-16-42(40)51(47(39)41)43-17-6-8-19-45(43)56-46-20-9-7-18-44(46)51/h1-32H.
What are the key properties of 2-phenyl-4-(4-pyridin-4-ylphenyl)-6-(4-spiro[fluorene-9,9'-thioxanthene]-1-ylphenyl)-1,3,5-triazine?
2-phenyl-4-(4-pyridin-4-ylphenyl)-6-(4-spiro[fluorene-9,9'-thioxanthene]-1-ylphenyl)-1,3,5-triazine has a molecular weight of 732.91 g/mol, XLogP of 12.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(4-pyridin-4-ylphenyl)-6-(4-spiro[fluorene-9,9'-thioxanthene]-1-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 139306538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).