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

C50H31N5S — CID 170441242

IUPAC4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3-diphenylbenzo[g]indazole
SMILESc1ccc(-c2nc(-c3ccc(-c4cc5ccccc5c5c4c(-c4ccccc4)nn5-c4ccccc4)cc3)nc(-c3cccc4c3sc3ccccc34)n2)cc1
InChIInChI=1S/C50H31N5S/c1-4-15-33(16-5-1)45-44-42(31-36-19-10-11-22-38(36)46(44)55(54-45)37-20-8-3-9-21-37)32-27-29-35(30-28-32)49-51-48(34-17-6-2-7-18-34)52-50(53-49)41-25-14-24-40-39-23-12-13-26-43(39)56-47(40)41/h1-31H
InChIKeyVIYGIIXVMDZYEJ-UHFFFAOYSA-N
MW733.90 g/mol
LogP13.07
Rot. Bonds6

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

4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3-diphenylbenzo[g]indazole (PubChem CID 170441242) has the molecular formula C50H31N5S and a molecular weight of 733.90 g/mol. Its IUPAC name is 4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3-diphenylbenzo[g]indazole.

Molecular Properties

Compound Name4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3-diphenylbenzo[g]indazole
PubChem CID170441242
Molecular FormulaC50H31N5S
Molecular Weight733.90 g/mol
Exact Mass733.23
IUPAC Name4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3-diphenylbenzo[g]indazole
SMILESc1ccc(-c2nc(-c3ccc(-c4cc5ccccc5c5c4c(-c4ccccc4)nn5-c4ccccc4)cc3)nc(-c3cccc4c3sc3ccccc34)n2)cc1
InChIInChI=1S/C50H31N5S/c1-4-15-33(16-5-1)45-44-42(31-36-19-10-11-22-38(36)46(44)55(54-45)37-20-8-3-9-21-37)32-27-29-35(30-28-32)49-51-48(34-17-6-2-7-18-34)52-50(53-49)41-25-14-24-40-39-23-12-13-26-43(39)56-47(40)41/h1-31H
InChIKeyVIYGIIXVMDZYEJ-UHFFFAOYSA-N
XLogP13.07
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.90
LogP ≤ 513.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-[6-(4-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidin-4-yl]-1,3,4-triphenylbenzo[g]indazole
CID 170441551
3-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-1,4-diphenylbenzo[g]indazole
CID 170441150
2-dibenzothiophen-4-yl-4-(3-phenanthren-9-ylphenyl)-6-(4-phenanthren-9-ylphenyl)-1,3,5-triazine
CID 139441740
1,4-diphenyl-3-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[g]indazole
CID 170441371
2-dibenzothiophen-4-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 168831660
2-dibenzothiophen-4-yl-4-(6-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 176587486
2-dibenzothiophen-4-yl-4-(3-dibenzothiophen-1-ylphenyl)-6-(4-dibenzothiophen-1-ylphenyl)-1,3,5-triazine
CID 139304158
2-dibenzothiophen-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 147261190
8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,3,4-triphenylbenzo[g]indazole
CID 170441597
2-dibenzothiophen-4-yl-4-phenyl-6-[3-[3-(4-phenylnaphthalen-1-yl)phenanthren-9-yl]phenyl]-1,3,5-triazine
CID 155481336
2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
CID 146183517
1,3,4-triphenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzo[g]indazole
CID 170441642

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3-diphenylbenzo[g]indazole?
The IUPAC name of 4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3-diphenylbenzo[g]indazole (CID 170441242) is 4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3-diphenylbenzo[g]indazole.
What is the SMILES notation for 4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3-diphenylbenzo[g]indazole?
The canonical SMILES for 4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3-diphenylbenzo[g]indazole is c1ccc(-c2nc(-c3ccc(-c4cc5ccccc5c5c4c(-c4ccccc4)nn5-c4ccccc4)cc3)nc(-c3cccc4c3sc3ccccc34)n2)cc1.
What is the InChIKey of 4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3-diphenylbenzo[g]indazole?
The InChIKey is VIYGIIXVMDZYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N5S/c1-4-15-33(16-5-1)45-44-42(31-36-19-10-11-22-38(36)46(44)55(54-45)37-20-8-3-9-21-37)32-27-29-35(30-28-32)49-51-48(34-17-6-2-7-18-34)52-50(53-49)41-25-14-24-40-39-23-12-13-26-43(39)56-47(40)41/h1-31H.
What are the key properties of 4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3-diphenylbenzo[g]indazole?
4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3-diphenylbenzo[g]indazole has a molecular weight of 733.90 g/mol, XLogP of 13.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3-diphenylbenzo[g]indazole is sourced from PubChem (CID 170441242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).