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

C46H29N3S — CID 146326974

IUPAC2-phenyl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3-c3ccccc3)nc(-c3cccc4c3Sc3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C46H29N3S/c1-3-16-30(17-4-1)32-20-7-8-23-35(32)44-47-43(31-18-5-2-6-19-31)48-45(49-44)36-24-15-28-40-42(36)50-41-29-14-13-27-39(41)46(40)37-25-11-9-21-33(37)34-22-10-12-26-38(34)46/h1-29H
InChIKeyPTADLGKGSGQHDI-UHFFFAOYSA-N
MW655.83 g/mol
LogP11.37
Rot. Bonds4

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

2-phenyl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine (PubChem CID 146326974) has the molecular formula C46H29N3S and a molecular weight of 655.83 g/mol. Its IUPAC name is 2-phenyl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine
PubChem CID146326974
Molecular FormulaC46H29N3S
Molecular Weight655.83 g/mol
Exact Mass655.21
IUPAC Name2-phenyl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3-c3ccccc3)nc(-c3cccc4c3Sc3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C46H29N3S/c1-3-16-30(17-4-1)32-20-7-8-23-35(32)44-47-43(31-18-5-2-6-19-31)48-45(49-44)36-24-15-28-40-42(36)50-41-29-14-13-27-39(41)46(40)37-25-11-9-21-33(37)34-22-10-12-26-38(34)46/h1-29H
InChIKeyPTADLGKGSGQHDI-UHFFFAOYSA-N
XLogP11.37
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.83
LogP ≤ 511.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine
CID 153049310
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-thioxanthene]-4'-ylphenyl)-1,3,5-triazine
CID 142469864
2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(2-spiro[fluorene-9,9'-thioxanthene]-4'-ylphenyl)-1,3,5-triazine
CID 166737804
2,4-diphenyl-6-[3-(4-spiro[fluorene-9,9'-thioxanthene]-4'-ylphenyl)phenyl]-1,3,5-triazine
CID 146326981
2-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine
CID 156513080
2-phenyl-4-(2-phenylphenyl)-6-[3-(3-spiro[fluorene-9,9'-thioxanthene]-4'-ylphenyl)phenyl]pyrimidine
CID 167177866
2,4-diphenyl-6-[2-(2-spiro[fluorene-9,9'-thioxanthene]-4'-ylphenyl)phenyl]pyrimidine
CID 167178251
2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-4-yl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine
CID 159943034
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-(2-spiro[fluorene-9,9'-thioxanthene]-4'-ylphenyl)-1,3,5-triazine
CID 166737978
4',5'-diphenyl-9,9'-spirobi[thioxanthene]
CID 118698141
2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(2-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)-1,3,5-triazine
CID 146326926
4-naphthalen-1-yl-2-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-4'-ylpyrimidine
CID 153486758

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine (CID 146326974) is 2-phenyl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3-c3ccccc3)nc(-c3cccc4c3Sc3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1.
What is the InChIKey of 2-phenyl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine?
The InChIKey is PTADLGKGSGQHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3S/c1-3-16-30(17-4-1)32-20-7-8-23-35(32)44-47-43(31-18-5-2-6-19-31)48-45(49-44)36-24-15-28-40-42(36)50-41-29-14-13-27-39(41)46(40)37-25-11-9-21-33(37)34-22-10-12-26-38(34)46/h1-29H.
What are the key properties of 2-phenyl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine?
2-phenyl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine has a molecular weight of 655.83 g/mol, XLogP of 11.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine is sourced from PubChem (CID 146326974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).