2-[8-(9,9-dimethylthioxanthen-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine

C42H29N3OS — CID 165382193

IUPAC2-[8-(9,9-dimethylthioxanthen-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2Sc2ccc(-c3ccc4oc5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5c4c3)cc21
InChIInChI=1S/C42H29N3OS/c1-42(2)33-15-9-10-16-37(33)47-38-22-19-29(24-34(38)42)28-18-21-35-32(23-28)31-20-17-30(25-36(31)46-35)41-44-39(26-11-5-3-6-12-26)43-40(45-41)27-13-7-4-8-14-27/h3-25H,1-2H3
InChIKeySHQJUQYNDUBEQL-UHFFFAOYSA-N
MW623.78 g/mol
LogP11.23
Rot. Bonds4

About 2-[8-(9,9-dimethylthioxanthen-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine

2-[8-(9,9-dimethylthioxanthen-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 165382193) has the molecular formula C42H29N3OS and a molecular weight of 623.78 g/mol. Its IUPAC name is 2-[8-(9,9-dimethylthioxanthen-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[8-(9,9-dimethylthioxanthen-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID165382193
Molecular FormulaC42H29N3OS
Molecular Weight623.78 g/mol
Exact Mass623.20
IUPAC Name2-[8-(9,9-dimethylthioxanthen-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2Sc2ccc(-c3ccc4oc5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5c4c3)cc21
InChIInChI=1S/C42H29N3OS/c1-42(2)33-15-9-10-16-37(33)47-38-22-19-29(24-34(38)42)28-18-21-35-32(23-28)31-20-17-30(25-36(31)46-35)41-44-39(26-11-5-3-6-12-26)43-40(45-41)27-13-7-4-8-14-27/h3-25H,1-2H3
InChIKeySHQJUQYNDUBEQL-UHFFFAOYSA-N
XLogP11.23
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.78
LogP ≤ 511.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[8-(9,9-dimethylthioxanthen-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-phenyl-4-[8-(4-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 176616854
2,4-diphenyl-6-[7-(8-phenyldibenzofuran-3-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 166009504
2-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155050267
2-phenyl-4-(4-phenylphenyl)-6-[7-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 155773120
2-dibenzofuran-3-yl-4-[3-(10,10-dimethylspiro[anthracene-9,9'-thioxanthene]-2-yl)phenyl]-6-phenylpyrimidine
CID 166995512
2-(7-dibenzofuran-3-yldibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953288
2-phenyl-4-[3-(8-phenyldibenzofuran-3-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 155773208
2-phenyl-4-[8-(3-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171597223
2-phenyl-4-(4-phenylphenyl)-6-[3-[7-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]-1,3,5-triazine
CID 155773210
2,4-diphenyl-6-[8-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 171414951
2-phenyl-4-(8-phenyldibenzofuran-3-yl)-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155773119
2-dibenzofuran-3-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 166953269

Frequently Asked Questions

What is the IUPAC name of 2-[8-(9,9-dimethylthioxanthen-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[8-(9,9-dimethylthioxanthen-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine (CID 165382193) is 2-[8-(9,9-dimethylthioxanthen-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[8-(9,9-dimethylthioxanthen-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[8-(9,9-dimethylthioxanthen-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine is CC1(C)c2ccccc2Sc2ccc(-c3ccc4oc5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5c4c3)cc21.
What is the InChIKey of 2-[8-(9,9-dimethylthioxanthen-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is SHQJUQYNDUBEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N3OS/c1-42(2)33-15-9-10-16-37(33)47-38-22-19-29(24-34(38)42)28-18-21-35-32(23-28)31-20-17-30(25-36(31)46-35)41-44-39(26-11-5-3-6-12-26)43-40(45-41)27-13-7-4-8-14-27/h3-25H,1-2H3.
What are the key properties of 2-[8-(9,9-dimethylthioxanthen-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine?
2-[8-(9,9-dimethylthioxanthen-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 623.78 g/mol, XLogP of 11.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(9,9-dimethylthioxanthen-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 165382193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).