2-dibenzothiophen-3-yl-4-[2-(10,10-dimethylspiro[anthracene-9,9'-thioxanthene]-2-yl)phenyl]-6-phenyl-1,3,5-triazine

C55H37N3S2 — CID 166995808

IUPAC2-dibenzothiophen-3-yl-4-[2-(10,10-dimethylspiro[anthracene-9,9'-thioxanthene]-2-yl)phenyl]-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2C2(c3ccccc3Sc3ccccc32)c2cc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)sc4ccccc45)n3)ccc21
InChIInChI=1S/C55H37N3S2/c1-54(2)41-21-9-10-22-43(41)55(44-23-11-14-26-48(44)60-49-27-15-12-24-45(49)55)46-32-35(29-31-42(46)54)37-18-6-7-20-40(37)53-57-51(34-16-4-3-5-17-34)56-52(58-53)36-28-30-39-38-19-8-13-25-47(38)59-50(39)33-36/h3-33H,1-2H3
InChIKeyFURORNTZEJEHID-UHFFFAOYSA-N
MW804.06 g/mol
LogP14.39
Rot. Bonds4

About 2-dibenzothiophen-3-yl-4-[2-(10,10-dimethylspiro[anthracene-9,9'-thioxanthene]-2-yl)phenyl]-6-phenyl-1,3,5-triazine

2-dibenzothiophen-3-yl-4-[2-(10,10-dimethylspiro[anthracene-9,9'-thioxanthene]-2-yl)phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 166995808) has the molecular formula C55H37N3S2 and a molecular weight of 804.06 g/mol. Its IUPAC name is 2-dibenzothiophen-3-yl-4-[2-(10,10-dimethylspiro[anthracene-9,9'-thioxanthene]-2-yl)phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-3-yl-4-[2-(10,10-dimethylspiro[anthracene-9,9'-thioxanthene]-2-yl)phenyl]-6-phenyl-1,3,5-triazine
PubChem CID166995808
Molecular FormulaC55H37N3S2
Molecular Weight804.06 g/mol
Exact Mass803.24
IUPAC Name2-dibenzothiophen-3-yl-4-[2-(10,10-dimethylspiro[anthracene-9,9'-thioxanthene]-2-yl)phenyl]-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2C2(c3ccccc3Sc3ccccc32)c2cc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)sc4ccccc45)n3)ccc21
InChIInChI=1S/C55H37N3S2/c1-54(2)41-21-9-10-22-43(41)55(44-23-11-14-26-48(44)60-49-27-15-12-24-45(49)55)46-32-35(29-31-42(46)54)37-18-6-7-20-40(37)53-57-51(34-16-4-3-5-17-34)56-52(58-53)36-28-30-39-38-19-8-13-25-47(38)59-50(39)33-36/h3-33H,1-2H3
InChIKeyFURORNTZEJEHID-UHFFFAOYSA-N
XLogP14.39
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.06
LogP ≤ 514.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzothiophen-3-yl-4-[2-(10,10-dimethylspiro[anthracene-9,9'-fluorene]-2-yl)phenyl]-6-phenylpyrimidine
CID 146495307
4-dibenzothiophen-3-yl-6-phenyl-2-(2-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)pyrimidine
CID 146327038
2-dibenzothiophen-3-yl-4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 166995664
2-[4-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 146494909
2-(2-dibenzothiophen-3-ylphenyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146251324
2-(9,9-dimethylthioxanthen-3-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 163972288
2-[7-(2-dibenzothiophen-3-ylphenyl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170192093
4-dibenzothiophen-3-yl-2-(9,9-dimethylthioxanthen-2-yl)quinazoline
CID 163550410
CID 146184571
CID 146184571
4,6-diphenyl-2-spiro[fluoreno[3,2-b][1]benzothiole-11,9'-thioxanthene]-3'-ylpyrimidine
CID 167340557
2-dibenzothiophen-3-yl-4-(10,10-dimethylspiro[anthracene-9,9'-xanthene]-2-yl)-6-phenylpyrimidine
CID 146495613
2-dibenzothiophen-3-yl-4-[4-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-2'-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146495858

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-3-yl-4-[2-(10,10-dimethylspiro[anthracene-9,9'-thioxanthene]-2-yl)phenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-3-yl-4-[2-(10,10-dimethylspiro[anthracene-9,9'-thioxanthene]-2-yl)phenyl]-6-phenyl-1,3,5-triazine (CID 166995808) is 2-dibenzothiophen-3-yl-4-[2-(10,10-dimethylspiro[anthracene-9,9'-thioxanthene]-2-yl)phenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-3-yl-4-[2-(10,10-dimethylspiro[anthracene-9,9'-thioxanthene]-2-yl)phenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-3-yl-4-[2-(10,10-dimethylspiro[anthracene-9,9'-thioxanthene]-2-yl)phenyl]-6-phenyl-1,3,5-triazine is CC1(C)c2ccccc2C2(c3ccccc3Sc3ccccc32)c2cc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)sc4ccccc45)n3)ccc21.
What is the InChIKey of 2-dibenzothiophen-3-yl-4-[2-(10,10-dimethylspiro[anthracene-9,9'-thioxanthene]-2-yl)phenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is FURORNTZEJEHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N3S2/c1-54(2)41-21-9-10-22-43(41)55(44-23-11-14-26-48(44)60-49-27-15-12-24-45(49)55)46-32-35(29-31-42(46)54)37-18-6-7-20-40(37)53-57-51(34-16-4-3-5-17-34)56-52(58-53)36-28-30-39-38-19-8-13-25-47(38)59-50(39)33-36/h3-33H,1-2H3.
What are the key properties of 2-dibenzothiophen-3-yl-4-[2-(10,10-dimethylspiro[anthracene-9,9'-thioxanthene]-2-yl)phenyl]-6-phenyl-1,3,5-triazine?
2-dibenzothiophen-3-yl-4-[2-(10,10-dimethylspiro[anthracene-9,9'-thioxanthene]-2-yl)phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 804.06 g/mol, XLogP of 14.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-3-yl-4-[2-(10,10-dimethylspiro[anthracene-9,9'-thioxanthene]-2-yl)phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 166995808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).