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

C42H24N4OS — CID 168785019

IUPAC7-dibenzothiophen-4-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cc(-c4cccc5c4sc4ccccc45)cc4oc5cnccc5c34)n2)cc1
InChIInChI=1S/C42H24N4OS/c1-2-10-26(11-3-1)40-44-41(28-18-17-25-9-4-5-12-27(25)21-28)46-42(45-40)34-22-29(23-35-38(34)33-19-20-43-24-36(33)47-35)30-14-8-15-32-31-13-6-7-16-37(31)48-39(30)32/h1-24H
InChIKeyOKVHOWZXASYYLP-UHFFFAOYSA-N
MW632.75 g/mol
LogP11.36
Rot. Bonds4

About 7-dibenzothiophen-4-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine

7-dibenzothiophen-4-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine (PubChem CID 168785019) has the molecular formula C42H24N4OS and a molecular weight of 632.75 g/mol. Its IUPAC name is 7-dibenzothiophen-4-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name7-dibenzothiophen-4-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine
PubChem CID168785019
Molecular FormulaC42H24N4OS
Molecular Weight632.75 g/mol
Exact Mass632.17
IUPAC Name7-dibenzothiophen-4-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cc(-c4cccc5c4sc4ccccc45)cc4oc5cnccc5c34)n2)cc1
InChIInChI=1S/C42H24N4OS/c1-2-10-26(11-3-1)40-44-41(28-18-17-25-9-4-5-12-27(25)21-28)46-42(45-40)34-22-29(23-35-38(34)33-19-20-43-24-36(33)47-35)30-14-8-15-32-31-13-6-7-16-37(31)48-39(30)32/h1-24H
InChIKeyOKVHOWZXASYYLP-UHFFFAOYSA-N
XLogP11.36
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.75
LogP ≤ 511.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-dibenzothiophen-4-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine with MolForge

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Related Compounds

2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 170301891
2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 174259797
2-(4-dibenzofuran-1-ylphenyl)-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 166743049
2-(4-dibenzothiophen-4-ylphenyl)-4-(8-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 139549050
2-dibenzothiophen-4-yl-4-[3-(3-methoxy-2-phenylphenyl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine
CID 170423951
2-dibenzothiophen-4-yl-4-naphthalen-2-yl-6-(7-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166743482
2-dibenzothiophen-1-yl-4-(3-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166741653
2-dibenzothiophen-4-yl-4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 174259541
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-9-yl-[1]benzofuro[2,3-c]pyridine
CID 168785274
2-dibenzothiophen-3-yl-4-naphthalen-2-yl-6-[3-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166742327
2-dibenzothiophen-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441895
2-(4-dibenzofuran-1-yldibenzofuran-1-yl)-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 166741703

Frequently Asked Questions

What is the IUPAC name of 7-dibenzothiophen-4-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 7-dibenzothiophen-4-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine (CID 168785019) is 7-dibenzothiophen-4-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 7-dibenzothiophen-4-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 7-dibenzothiophen-4-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine is c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cc(-c4cccc5c4sc4ccccc45)cc4oc5cnccc5c34)n2)cc1.
What is the InChIKey of 7-dibenzothiophen-4-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine?
The InChIKey is OKVHOWZXASYYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N4OS/c1-2-10-26(11-3-1)40-44-41(28-18-17-25-9-4-5-12-27(25)21-28)46-42(45-40)34-22-29(23-35-38(34)33-19-20-43-24-36(33)47-35)30-14-8-15-32-31-13-6-7-16-37(31)48-39(30)32/h1-24H.
What are the key properties of 7-dibenzothiophen-4-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine?
7-dibenzothiophen-4-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine has a molecular weight of 632.75 g/mol, XLogP of 11.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-dibenzothiophen-4-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 168785019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).