2-dibenzothiophen-3-yl-4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine

C58H35N3O2S — CID 138576130

IUPAC2-dibenzothiophen-3-yl-4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)Oc4ccc6c(c4O5)-c4ccccc4C6(c4ccccc4)c4ccccc4)c3)nc(-c3ccc4c(c3)sc3ccccc34)n2)cc1
InChIInChI=1S/C58H35N3O2S/c1-4-15-36(16-5-1)55-59-56(61-57(60-55)40-27-29-44-43-23-11-13-26-51(43)64-52(44)35-40)39-18-14-17-37(33-39)38-28-31-48-50(34-38)62-49-32-30-47-53(54(49)63-48)45-24-10-12-25-46(45)58(47,41-19-6-2-7-20-41)42-21-8-3-9-22-42/h1-35H
InChIKeyWXHSEBIYVWISER-UHFFFAOYSA-N
MW838.00 g/mol
LogP15.17
Rot. Bonds6

About 2-dibenzothiophen-3-yl-4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine

2-dibenzothiophen-3-yl-4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 138576130) has the molecular formula C58H35N3O2S and a molecular weight of 838.00 g/mol. Its IUPAC name is 2-dibenzothiophen-3-yl-4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-3-yl-4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine
PubChem CID138576130
Molecular FormulaC58H35N3O2S
Molecular Weight838.00 g/mol
Exact Mass837.24
IUPAC Name2-dibenzothiophen-3-yl-4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)Oc4ccc6c(c4O5)-c4ccccc4C6(c4ccccc4)c4ccccc4)c3)nc(-c3ccc4c(c3)sc3ccccc34)n2)cc1
InChIInChI=1S/C58H35N3O2S/c1-4-15-36(16-5-1)55-59-56(61-57(60-55)40-27-29-44-43-23-11-13-26-51(43)64-52(44)35-40)39-18-14-17-37(33-39)38-28-31-48-50(34-38)62-49-32-30-47-53(54(49)63-48)45-24-10-12-25-46(45)58(47,41-19-6-2-7-20-41)42-21-8-3-9-22-42/h1-35H
InChIKeyWXHSEBIYVWISER-UHFFFAOYSA-N
XLogP15.17
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.00
LogP ≤ 515.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
CID 138575608
2-dibenzothiophen-3-yl-4-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 138575083
2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 138576122
4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-2-phenyl-6-triphenylen-2-ylpyrimidine
CID 138576040
N-(4-dibenzothiophen-3-ylphenyl)-N,8,8-triphenylindeno[1,2-a]oxanthren-3-amine
CID 138582115
3-[3-[4-[2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 138576048
4-dibenzofuran-3-yl-6-[4-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-2-phenylpyrimidine
CID 138574969
2-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 138575639
2-dibenzothiophen-3-yl-4-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166003111
2-(2-dibenzothiophen-3-yl-9,9-diphenylfluoren-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 148966276
2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine
CID 138576044
2-dibenzothiophen-3-yl-4-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 166002399

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-3-yl-4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-3-yl-4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine (CID 138576130) is 2-dibenzothiophen-3-yl-4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-3-yl-4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-3-yl-4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)Oc4ccc6c(c4O5)-c4ccccc4C6(c4ccccc4)c4ccccc4)c3)nc(-c3ccc4c(c3)sc3ccccc34)n2)cc1.
What is the InChIKey of 2-dibenzothiophen-3-yl-4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is WXHSEBIYVWISER-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35N3O2S/c1-4-15-36(16-5-1)55-59-56(61-57(60-55)40-27-29-44-43-23-11-13-26-51(43)64-52(44)35-40)39-18-14-17-37(33-39)38-28-31-48-50(34-38)62-49-32-30-47-53(54(49)63-48)45-24-10-12-25-46(45)58(47,41-19-6-2-7-20-41)42-21-8-3-9-22-42/h1-35H.
What are the key properties of 2-dibenzothiophen-3-yl-4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine?
2-dibenzothiophen-3-yl-4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 838.00 g/mol, XLogP of 15.17, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-3-yl-4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 138576130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).