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

C46H26N4OS — CID 163488405

IUPAC5-[4-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline
SMILESc1ccc2c(-c3nc(-c4ccc(-c5nc6c7ccccc7oc6c6ccccc56)cc4)nc(-c4cccc5c4sc4ccccc45)n3)cccc2c1
InChIInChI=1S/C46H26N4OS/c1-2-13-30-27(11-1)12-9-19-35(30)45-48-44(49-46(50-45)37-20-10-18-34-31-14-6-8-22-39(31)52-43(34)37)29-25-23-28(24-26-29)40-32-15-3-4-16-33(32)42-41(47-40)36-17-5-7-21-38(36)51-42/h1-26H
InChIKeyOBOPXNLBQLPKPO-UHFFFAOYSA-N
MW682.81 g/mol
LogP12.51
Rot. Bonds4

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

5-[4-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline (PubChem CID 163488405) has the molecular formula C46H26N4OS and a molecular weight of 682.81 g/mol. Its IUPAC name is 5-[4-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline.

Molecular Properties

Compound Name5-[4-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline
PubChem CID163488405
Molecular FormulaC46H26N4OS
Molecular Weight682.81 g/mol
Exact Mass682.18
IUPAC Name5-[4-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline
SMILESc1ccc2c(-c3nc(-c4ccc(-c5nc6c7ccccc7oc6c6ccccc56)cc4)nc(-c4cccc5c4sc4ccccc45)n3)cccc2c1
InChIInChI=1S/C46H26N4OS/c1-2-13-30-27(11-1)12-9-19-35(30)45-48-44(49-46(50-45)37-20-10-18-34-31-14-6-8-22-39(31)52-43(34)37)29-25-23-28(24-26-29)40-32-15-3-4-16-33(32)42-41(47-40)36-17-5-7-21-38(36)51-42/h1-26H
InChIKeyOBOPXNLBQLPKPO-UHFFFAOYSA-N
XLogP12.51
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.81
LogP ≤ 512.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

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
2-dibenzofuran-4-yl-4-dibenzothiophen-4-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 163799019
2-(4-dibenzofuran-4-ylphenyl)-4-dibenzothiophen-4-yl-6-(2-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 165160132
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-[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-(3-dibenzofuran-4-ylphenyl)-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171445309
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-dibenzothiophen-4-yl-4-naphthalen-1-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 177112658
2-dibenzofuran-4-yl-4-naphtho[1,2-b][1]benzothiol-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 163544939
2-chrysen-2-yl-4-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-1,3,5-triazine
CID 170131595
4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-(9,9-dimethylfluoren-1-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 149315249

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline?
The IUPAC name of 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) is 5-[4-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline.
What is the SMILES notation for 5-[4-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline?
The canonical SMILES for 5-[4-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline is c1ccc2c(-c3nc(-c4ccc(-c5nc6c7ccccc7oc6c6ccccc56)cc4)nc(-c4cccc5c4sc4ccccc45)n3)cccc2c1.
What is the InChIKey of 5-[4-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline?
The InChIKey is OBOPXNLBQLPKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26N4OS/c1-2-13-30-27(11-1)12-9-19-35(30)45-48-44(49-46(50-45)37-20-10-18-34-31-14-6-8-22-39(31)52-43(34)37)29-25-23-28(24-26-29)40-32-15-3-4-16-33(32)42-41(47-40)36-17-5-7-21-38(36)51-42/h1-26H.
What are the key properties of 5-[4-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline?
5-[4-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline has a molecular weight of 682.81 g/mol, XLogP of 12.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline is sourced from PubChem (CID 163488405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).