6-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,3,4-triphenylbenzo[g]indazole

C56H35N5O — CID 170441483

IUPAC6-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,3,4-triphenylbenzo[g]indazole
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc(-c3cccc4c3cc(-c3ccccc3)c3c(-c5ccccc5)nn(-c5ccccc5)c34)n2)cc1
InChIInChI=1S/C56H35N5O/c1-5-17-36(18-6-1)47-35-48-44(52-50(47)51(38-19-7-2-8-20-38)60-61(52)41-23-11-4-12-24-41)27-16-29-46(48)56-58-54(39-21-9-3-10-22-39)57-55(59-56)40-33-31-37(32-34-40)42-26-15-28-45-43-25-13-14-30-49(43)62-53(42)45/h1-35H
InChIKeyCIOXJPJHPQWYOI-UHFFFAOYSA-N
MW793.93 g/mol
LogP14.27
Rot. Bonds7

About 6-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,3,4-triphenylbenzo[g]indazole

6-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,3,4-triphenylbenzo[g]indazole (PubChem CID 170441483) has the molecular formula C56H35N5O and a molecular weight of 793.93 g/mol. Its IUPAC name is 6-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,3,4-triphenylbenzo[g]indazole.

Molecular Properties

Compound Name6-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,3,4-triphenylbenzo[g]indazole
PubChem CID170441483
Molecular FormulaC56H35N5O
Molecular Weight793.93 g/mol
Exact Mass793.28
IUPAC Name6-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,3,4-triphenylbenzo[g]indazole
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc(-c3cccc4c3cc(-c3ccccc3)c3c(-c5ccccc5)nn(-c5ccccc5)c34)n2)cc1
InChIInChI=1S/C56H35N5O/c1-5-17-36(18-6-1)47-35-48-44(52-50(47)51(38-19-7-2-8-20-38)60-61(52)41-23-11-4-12-24-41)27-16-29-46(48)56-58-54(39-21-9-3-10-22-39)57-55(59-56)40-33-31-37(32-34-40)42-26-15-28-45-43-25-13-14-30-49(43)62-53(42)45/h1-35H
InChIKeyCIOXJPJHPQWYOI-UHFFFAOYSA-N
XLogP14.27
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.93
LogP ≤ 514.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3-diphenylbenzo[g]indazole
CID 170441244
1,3,4-triphenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole
CID 170441473
2-dibenzofuran-4-yl-4-phenyl-6-[4-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-yl]-1,3,5-triazine
CID 155481121
2-dibenzofuran-4-yl-4-phenyl-6-(4-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
CID 176853441
2-dibenzofuran-4-yl-4-phenyl-6-(6-triphenylen-2-yldibenzofuran-4-yl)-1,3,5-triazine
CID 166953249
2-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 164942555
2-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850178
2-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 164942421
4-[4-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3-diphenylbenzo[g]indazole
CID 170441247
2,4-bis(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2,4-bis(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-dibenzofuran-4-yl-1,3,5-triazine
CID 165081213
2-dibenzofuran-4-yl-4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176818511
2-dibenzofuran-4-yl-4-[4-(6-phenyldibenzofuran-3-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 177269991

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,3,4-triphenylbenzo[g]indazole?
The IUPAC name of 6-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,3,4-triphenylbenzo[g]indazole (CID 170441483) is 6-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,3,4-triphenylbenzo[g]indazole.
What is the SMILES notation for 6-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,3,4-triphenylbenzo[g]indazole?
The canonical SMILES for 6-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,3,4-triphenylbenzo[g]indazole is c1ccc(-c2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc(-c3cccc4c3cc(-c3ccccc3)c3c(-c5ccccc5)nn(-c5ccccc5)c34)n2)cc1.
What is the InChIKey of 6-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,3,4-triphenylbenzo[g]indazole?
The InChIKey is CIOXJPJHPQWYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N5O/c1-5-17-36(18-6-1)47-35-48-44(52-50(47)51(38-19-7-2-8-20-38)60-61(52)41-23-11-4-12-24-41)27-16-29-46(48)56-58-54(39-21-9-3-10-22-39)57-55(59-56)40-33-31-37(32-34-40)42-26-15-28-45-43-25-13-14-30-49(43)62-53(42)45/h1-35H.
What are the key properties of 6-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,3,4-triphenylbenzo[g]indazole?
6-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,3,4-triphenylbenzo[g]indazole has a molecular weight of 793.93 g/mol, XLogP of 14.27, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,3,4-triphenylbenzo[g]indazole is sourced from PubChem (CID 170441483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).