2-dibenzothiophen-1-yl-4-(8-dibenzothiophen-1-yldibenzofuran-4-yl)-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine

C63H35N3OS2 — CID 168908573

IUPAC2-dibenzothiophen-1-yl-4-(8-dibenzothiophen-1-yldibenzofuran-4-yl)-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine
SMILESc1ccc2c(c1)sc1cccc(-c3ccc4oc5c(-c6nc(-c7ccc(-c8ccc9c%10ccccc%10c%10ccccc%10c9c8)cc7)nc(-c7cccc8sc9ccccc9c78)n6)cccc5c4c3)c12
InChIInChI=1S/C63H35N3OS2/c1-2-14-43-41(12-1)42-13-3-4-15-44(42)51-34-38(30-32-45(43)51)36-26-28-37(29-27-36)61-64-62(49-20-11-25-57-59(49)48-17-6-8-23-55(48)69-57)66-63(65-61)50-21-9-19-46-52-35-39(31-33-53(52)67-60(46)50)40-18-10-24-56-58(40)47-16-5-7-22-54(47)68-56/h1-35H
InChIKeyKYTPHXKYTQYTBN-UHFFFAOYSA-N
MW914.13 g/mol
LogP18.30
Rot. Bonds5

About 2-dibenzothiophen-1-yl-4-(8-dibenzothiophen-1-yldibenzofuran-4-yl)-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine

2-dibenzothiophen-1-yl-4-(8-dibenzothiophen-1-yldibenzofuran-4-yl)-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine (PubChem CID 168908573) has the molecular formula C63H35N3OS2 and a molecular weight of 914.13 g/mol. Its IUPAC name is 2-dibenzothiophen-1-yl-4-(8-dibenzothiophen-1-yldibenzofuran-4-yl)-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-1-yl-4-(8-dibenzothiophen-1-yldibenzofuran-4-yl)-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine
PubChem CID168908573
Molecular FormulaC63H35N3OS2
Molecular Weight914.13 g/mol
Exact Mass913.22
IUPAC Name2-dibenzothiophen-1-yl-4-(8-dibenzothiophen-1-yldibenzofuran-4-yl)-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine
SMILESc1ccc2c(c1)sc1cccc(-c3ccc4oc5c(-c6nc(-c7ccc(-c8ccc9c%10ccccc%10c%10ccccc%10c9c8)cc7)nc(-c7cccc8sc9ccccc9c78)n6)cccc5c4c3)c12
InChIInChI=1S/C63H35N3OS2/c1-2-14-43-41(12-1)42-13-3-4-15-44(42)51-34-38(30-32-45(43)51)36-26-28-37(29-27-36)61-64-62(49-20-11-25-57-59(49)48-17-6-8-23-55(48)69-57)66-63(65-61)50-21-9-19-46-52-35-39(31-33-53(52)67-60(46)50)40-18-10-24-56-58(40)47-16-5-7-22-54(47)68-56/h1-35H
InChIKeyKYTPHXKYTQYTBN-UHFFFAOYSA-N
XLogP18.30
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500914.13
LogP ≤ 518.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-dibenzothiophen-1-yl-4-(8-dibenzothiophen-1-yldibenzofuran-4-yl)-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzothiophen-1-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 134198711
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(3-phenylphenyl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 139548908
2-dibenzofuran-4-yl-4-phenyl-6-[8-[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134198584
2-naphtho[1,2-b][1]benzofuran-8-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 170305304
2-dibenzothiophen-1-yl-4-phenyl-6-[4-(8-triphenylen-2-yldibenzothiophen-1-yl)phenyl]-1,3,5-triazine
CID 134199441
2-dibenzofuran-4-yl-4-dibenzothiophen-1-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 163883122
2-phenyl-4-[7-[7-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazine
CID 155471007
2-dibenzofuran-4-yl-4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine
CID 155050381
2-[8-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 154978282
2-dibenzofuran-1-yl-4-phenyl-6-[4-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-[4-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-4-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 162117042
2-dibenzothiophen-1-yl-4-phenyl-6-[3-[8-(2-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine
CID 134198900
2-dibenzothiophen-1-yl-4-phenyl-6-(9-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine
CID 146407677

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-1-yl-4-(8-dibenzothiophen-1-yldibenzofuran-4-yl)-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-1-yl-4-(8-dibenzothiophen-1-yldibenzofuran-4-yl)-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine (CID 168908573) is 2-dibenzothiophen-1-yl-4-(8-dibenzothiophen-1-yldibenzofuran-4-yl)-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-1-yl-4-(8-dibenzothiophen-1-yldibenzofuran-4-yl)-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-1-yl-4-(8-dibenzothiophen-1-yldibenzofuran-4-yl)-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine is c1ccc2c(c1)sc1cccc(-c3ccc4oc5c(-c6nc(-c7ccc(-c8ccc9c%10ccccc%10c%10ccccc%10c9c8)cc7)nc(-c7cccc8sc9ccccc9c78)n6)cccc5c4c3)c12.
What is the InChIKey of 2-dibenzothiophen-1-yl-4-(8-dibenzothiophen-1-yldibenzofuran-4-yl)-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine?
The InChIKey is KYTPHXKYTQYTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H35N3OS2/c1-2-14-43-41(12-1)42-13-3-4-15-44(42)51-34-38(30-32-45(43)51)36-26-28-37(29-27-36)61-64-62(49-20-11-25-57-59(49)48-17-6-8-23-55(48)69-57)66-63(65-61)50-21-9-19-46-52-35-39(31-33-53(52)67-60(46)50)40-18-10-24-56-58(40)47-16-5-7-22-54(47)68-56/h1-35H.
What are the key properties of 2-dibenzothiophen-1-yl-4-(8-dibenzothiophen-1-yldibenzofuran-4-yl)-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine?
2-dibenzothiophen-1-yl-4-(8-dibenzothiophen-1-yldibenzofuran-4-yl)-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine has a molecular weight of 914.13 g/mol, XLogP of 18.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-1-yl-4-(8-dibenzothiophen-1-yldibenzofuran-4-yl)-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 168908573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).