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

C56H35N5O — CID 170441244

IUPAC4-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3-diphenylbenzo[g]indazole
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc(-c3ccc(-c4cc5ccccc5c5c4c(-c4ccccc4)nn5-c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C56H35N5O/c1-4-15-38(16-5-1)51-50-48(35-42-19-10-11-22-44(42)52(50)61(60-51)43-20-8-3-9-21-43)37-29-33-41(34-30-37)56-58-54(39-17-6-2-7-18-39)57-55(59-56)40-31-27-36(28-32-40)45-24-14-25-47-46-23-12-13-26-49(46)62-53(45)47/h1-35H
InChIKeyAQYZOMDUXFOXCC-UHFFFAOYSA-N
MW793.93 g/mol
LogP14.27
Rot. Bonds7

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

4-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3-diphenylbenzo[g]indazole (PubChem CID 170441244) has the molecular formula C56H35N5O and a molecular weight of 793.93 g/mol. Its IUPAC name is 4-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3-diphenylbenzo[g]indazole.

Molecular Properties

Compound Name4-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3-diphenylbenzo[g]indazole
PubChem CID170441244
Molecular FormulaC56H35N5O
Molecular Weight793.93 g/mol
Exact Mass793.28
IUPAC Name4-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3-diphenylbenzo[g]indazole
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc(-c3ccc(-c4cc5ccccc5c5c4c(-c4ccccc4)nn5-c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C56H35N5O/c1-4-15-38(16-5-1)51-50-48(35-42-19-10-11-22-44(42)52(50)61(60-51)43-20-8-3-9-21-43)37-29-33-41(34-30-37)56-58-54(39-17-6-2-7-18-39)57-55(59-56)40-31-27-36(28-32-40)45-24-14-25-47-46-23-12-13-26-49(46)62-53(45)47/h1-35H
InChIKeyAQYZOMDUXFOXCC-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

6-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,3,4-triphenylbenzo[g]indazole
CID 170441483
1,3-diphenyl-4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole
CID 170441223
3,4-diphenyl-1-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole
CID 170441339
4-[4-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3-diphenylbenzo[g]indazole
CID 170441247
1,3,4-triphenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole
CID 170441473
1-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 164928011
2-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850178
2-dibenzofuran-4-yl-4-(2-phenanthren-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155481415
2-(8-dibenzofuran-4-yldibenzofuran-1-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 166742596
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-(4-dibenzofuran-4-ylphenyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 164942421

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3-diphenylbenzo[g]indazole?
The IUPAC name of 4-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3-diphenylbenzo[g]indazole (CID 170441244) is 4-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3-diphenylbenzo[g]indazole.
What is the SMILES notation for 4-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3-diphenylbenzo[g]indazole?
The canonical SMILES for 4-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3-diphenylbenzo[g]indazole is c1ccc(-c2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc(-c3ccc(-c4cc5ccccc5c5c4c(-c4ccccc4)nn5-c4ccccc4)cc3)n2)cc1.
What is the InChIKey of 4-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3-diphenylbenzo[g]indazole?
The InChIKey is AQYZOMDUXFOXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N5O/c1-4-15-38(16-5-1)51-50-48(35-42-19-10-11-22-44(42)52(50)61(60-51)43-20-8-3-9-21-43)37-29-33-41(34-30-37)56-58-54(39-17-6-2-7-18-39)57-55(59-56)40-31-27-36(28-32-40)45-24-14-25-47-46-23-12-13-26-49(46)62-53(45)47/h1-35H.
What are the key properties of 4-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3-diphenylbenzo[g]indazole?
4-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3-diphenylbenzo[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 4-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3-diphenylbenzo[g]indazole is sourced from PubChem (CID 170441244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).