2,4-diphenyl-6-spiro[fluoreno[3,2-b][1]benzofuran-11,9'-thioxanthene]-4-yl-1,3,5-triazine

C46H27N3OS — CID 167340470

IUPAC2,4-diphenyl-6-spiro[fluoreno[3,2-b][1]benzofuran-11,9'-thioxanthene]-4-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3cc5c(cc34)C3(c4ccccc4Sc4ccccc43)c3ccccc3-5)n2)cc1
InChIInChI=1S/C46H27N3OS/c1-3-14-28(15-4-1)43-47-44(29-16-5-2-6-17-29)49-45(48-43)32-20-13-19-31-34-26-38-33(27-39(34)50-42(31)32)30-18-7-8-21-35(30)46(38)36-22-9-11-24-40(36)51-41-25-12-10-23-37(41)46/h1-27H
InChIKeyMEMNKBZVZMMHSO-UHFFFAOYSA-N
MW669.81 g/mol
LogP11.60
Rot. Bonds3

About 2,4-diphenyl-6-spiro[fluoreno[3,2-b][1]benzofuran-11,9'-thioxanthene]-4-yl-1,3,5-triazine

2,4-diphenyl-6-spiro[fluoreno[3,2-b][1]benzofuran-11,9'-thioxanthene]-4-yl-1,3,5-triazine (PubChem CID 167340470) has the molecular formula C46H27N3OS and a molecular weight of 669.81 g/mol. Its IUPAC name is 2,4-diphenyl-6-spiro[fluoreno[3,2-b][1]benzofuran-11,9'-thioxanthene]-4-yl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-spiro[fluoreno[3,2-b][1]benzofuran-11,9'-thioxanthene]-4-yl-1,3,5-triazine
PubChem CID167340470
Molecular FormulaC46H27N3OS
Molecular Weight669.81 g/mol
Exact Mass669.19
IUPAC Name2,4-diphenyl-6-spiro[fluoreno[3,2-b][1]benzofuran-11,9'-thioxanthene]-4-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3cc5c(cc34)C3(c4ccccc4Sc4ccccc43)c3ccccc3-5)n2)cc1
InChIInChI=1S/C46H27N3OS/c1-3-14-28(15-4-1)43-47-44(29-16-5-2-6-17-29)49-45(48-43)32-20-13-19-31-34-26-38-33(27-39(34)50-42(31)32)30-18-7-8-21-35(30)46(38)36-22-9-11-24-40(36)51-41-25-12-10-23-37(41)46/h1-27H
InChIKeyMEMNKBZVZMMHSO-UHFFFAOYSA-N
XLogP11.60
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.81
LogP ≤ 511.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,4-diphenyl-6-spiro[fluoreno[3,2-b][1]benzofuran-11,9'-thioxanthene]-4-yl-1,3,5-triazine with MolForge

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Related Compounds

2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-(2-spiro[fluorene-9,9'-thioxanthene]-3'-ylphenyl)-1,3,5-triazine
CID 166738136
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-3'-yl-1,3,5-triazine
CID 142469829
16-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-thioxanthene]
CID 164737458
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-1'-yl-1,3,5-triazine
CID 166737827
2,4-diphenyl-6-spiro[fluoreno[3,2-b][1]benzofuran-11,9'-thioxanthene]-7-yl-1,3,5-triazine
CID 167340541
2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 130233245
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-(2-spiro[fluorene-9,9'-thioxanthene]-4'-ylphenyl)-1,3,5-triazine
CID 166737978
2,4-diphenyl-6-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-thioxanthene]-11-yl-1,3,5-triazine
CID 146934375
4-phenyl-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-4'-ylquinazoline
CID 147565947
2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yl-1,3,5-triazine;2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yl-1,3,5-triazine;methane
CID 160570361
2,4-diphenyl-6-[6-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 166952589
2-(4-dibenzofuran-4-ylphenyl)-4-[3-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146494897

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-spiro[fluoreno[3,2-b][1]benzofuran-11,9'-thioxanthene]-4-yl-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-spiro[fluoreno[3,2-b][1]benzofuran-11,9'-thioxanthene]-4-yl-1,3,5-triazine (CID 167340470) is 2,4-diphenyl-6-spiro[fluoreno[3,2-b][1]benzofuran-11,9'-thioxanthene]-4-yl-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-spiro[fluoreno[3,2-b][1]benzofuran-11,9'-thioxanthene]-4-yl-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-spiro[fluoreno[3,2-b][1]benzofuran-11,9'-thioxanthene]-4-yl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3cc5c(cc34)C3(c4ccccc4Sc4ccccc43)c3ccccc3-5)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-spiro[fluoreno[3,2-b][1]benzofuran-11,9'-thioxanthene]-4-yl-1,3,5-triazine?
The InChIKey is MEMNKBZVZMMHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N3OS/c1-3-14-28(15-4-1)43-47-44(29-16-5-2-6-17-29)49-45(48-43)32-20-13-19-31-34-26-38-33(27-39(34)50-42(31)32)30-18-7-8-21-35(30)46(38)36-22-9-11-24-40(36)51-41-25-12-10-23-37(41)46/h1-27H.
What are the key properties of 2,4-diphenyl-6-spiro[fluoreno[3,2-b][1]benzofuran-11,9'-thioxanthene]-4-yl-1,3,5-triazine?
2,4-diphenyl-6-spiro[fluoreno[3,2-b][1]benzofuran-11,9'-thioxanthene]-4-yl-1,3,5-triazine has a molecular weight of 669.81 g/mol, XLogP of 11.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-spiro[fluoreno[3,2-b][1]benzofuran-11,9'-thioxanthene]-4-yl-1,3,5-triazine is sourced from PubChem (CID 167340470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).