5-[3-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]isoquinoline

C48H28N4OS — CID 163488407

IUPAC5-[3-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]isoquinoline
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc(-c5nc6c7ccccc7oc6c6ccccc56)c4)cc3)nc(-c3cccc4c3sc3ccccc34)n2)cc1
InChIInChI=1S/C48H28N4OS/c1-2-12-30(13-3-1)46-50-47(52-48(51-46)39-21-11-20-37-34-16-7-9-23-41(34)54-45(37)39)31-26-24-29(25-27-31)32-14-10-15-33(28-32)42-35-17-4-5-18-36(35)44-43(49-42)38-19-6-8-22-40(38)53-44/h1-28H
InChIKeyPJEIUKFVCLDQJL-UHFFFAOYSA-N
MW708.85 g/mol
LogP13.02
Rot. Bonds5

About 5-[3-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]isoquinoline

5-[3-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]isoquinoline (PubChem CID 163488407) has the molecular formula C48H28N4OS and a molecular weight of 708.85 g/mol. Its IUPAC name is 5-[3-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]isoquinoline.

Molecular Properties

Compound Name5-[3-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]isoquinoline
PubChem CID163488407
Molecular FormulaC48H28N4OS
Molecular Weight708.85 g/mol
Exact Mass708.20
IUPAC Name5-[3-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]isoquinoline
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc(-c5nc6c7ccccc7oc6c6ccccc56)c4)cc3)nc(-c3cccc4c3sc3ccccc34)n2)cc1
InChIInChI=1S/C48H28N4OS/c1-2-12-30(13-3-1)46-50-47(52-48(51-46)39-21-11-20-37-34-16-7-9-23-41(34)54-45(37)39)31-26-24-29(25-27-31)32-14-10-15-33(28-32)42-35-17-4-5-18-36(35)44-43(49-42)38-19-6-8-22-40(38)53-44/h1-28H
InChIKeyPJEIUKFVCLDQJL-UHFFFAOYSA-N
XLogP13.02
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.85
LogP ≤ 513.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[3-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]isoquinoline with MolForge

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Related Compounds

5-[4-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline
CID 163488405
2-(3-dibenzofuran-4-ylphenyl)-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171445309
5-[3-[4-[7-[3-[4-[3-[3-([1]benzofuro[3,2-c]isoquinolin-5-yl)phenyl]phenyl]-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-10-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline
CID 155018823
2-(3-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4,6-diphenyl-1,3,5-triazine
CID 144953430
2-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 154978300
2-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 155050043
2-dibenzofuran-3-yl-4-dibenzothiophen-4-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 170151778
2-(3-dibenzofuran-3-ylphenyl)-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171445744
2-dibenzofuran-4-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine
CID 170362985
2-(4-dibenzofuran-4-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazine
CID 130288940
2-phenyl-4-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 154978686
2-(3-dibenzofuran-3-ylphenyl)-4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 163842372

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]isoquinoline?
The IUPAC name of 5-[3-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]isoquinoline (CID 163488407) is 5-[3-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]isoquinoline.
What is the SMILES notation for 5-[3-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]isoquinoline?
The canonical SMILES for 5-[3-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]isoquinoline is c1ccc(-c2nc(-c3ccc(-c4cccc(-c5nc6c7ccccc7oc6c6ccccc56)c4)cc3)nc(-c3cccc4c3sc3ccccc34)n2)cc1.
What is the InChIKey of 5-[3-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]isoquinoline?
The InChIKey is PJEIUKFVCLDQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N4OS/c1-2-12-30(13-3-1)46-50-47(52-48(51-46)39-21-11-20-37-34-16-7-9-23-41(34)54-45(37)39)31-26-24-29(25-27-31)32-14-10-15-33(28-32)42-35-17-4-5-18-36(35)44-43(49-42)38-19-6-8-22-40(38)53-44/h1-28H.
What are the key properties of 5-[3-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]isoquinoline?
5-[3-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]isoquinoline has a molecular weight of 708.85 g/mol, XLogP of 13.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]isoquinoline is sourced from PubChem (CID 163488407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).