4-dibenzothiophen-1-yl-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridine

C42H24N4OS — CID 168784933

IUPAC4-dibenzothiophen-1-yl-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4oc5c(-c6cccc7sc8ccccc8c67)ccnc5c34)n2)cc1
InChIInChI=1S/C42H24N4OS/c1-2-11-26(12-3-1)40-44-41(28-21-20-25-10-4-5-13-27(25)24-28)46-42(45-40)32-16-8-17-33-37(32)38-39(47-33)30(22-23-43-38)29-15-9-19-35-36(29)31-14-6-7-18-34(31)48-35/h1-24H
InChIKeyNVNFSZNBWKJKIH-UHFFFAOYSA-N
MW632.75 g/mol
LogP11.36
Rot. Bonds4

About 4-dibenzothiophen-1-yl-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridine

4-dibenzothiophen-1-yl-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridine (PubChem CID 168784933) has the molecular formula C42H24N4OS and a molecular weight of 632.75 g/mol. Its IUPAC name is 4-dibenzothiophen-1-yl-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name4-dibenzothiophen-1-yl-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridine
PubChem CID168784933
Molecular FormulaC42H24N4OS
Molecular Weight632.75 g/mol
Exact Mass632.17
IUPAC Name4-dibenzothiophen-1-yl-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4oc5c(-c6cccc7sc8ccccc8c67)ccnc5c34)n2)cc1
InChIInChI=1S/C42H24N4OS/c1-2-11-26(12-3-1)40-44-41(28-21-20-25-10-4-5-13-27(25)24-28)46-42(45-40)32-16-8-17-33-37(32)38-39(47-33)30(22-23-43-38)29-15-9-19-35-36(29)31-14-6-7-18-34(31)48-35/h1-24H
InChIKeyNVNFSZNBWKJKIH-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 4-dibenzothiophen-1-yl-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridine with MolForge

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Related Compounds

4-dibenzofuran-4-yl-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridine
CID 168785404
2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 177119775
2-dibenzothiophen-1-yl-4-(9-dibenzothiophen-1-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166743677
2-dibenzothiophen-2-yl-4-(6-dibenzothiophen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166742461
2-dibenzofuran-4-yl-4-dibenzothiophen-1-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 163883122
2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-(7-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166743486
2-dibenzothiophen-1-yl-4-(3-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166741653
2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-1-ylnaphthalen-1-yl)-1,3,5-triazine
CID 163479356
2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-(4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaen-9-yl)-1,3,5-triazine
CID 166846399
2-(7-dibenzofuran-1-ylnaphthalen-2-yl)-4-dibenzothiophen-1-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741718
4-(4-phenylphenyl)-9-[4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]pyridine
CID 164808287
2-(8-dibenzothiophen-1-ylnaphthalen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 146367339

Frequently Asked Questions

What is the IUPAC name of 4-dibenzothiophen-1-yl-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 4-dibenzothiophen-1-yl-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridine (CID 168784933) is 4-dibenzothiophen-1-yl-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 4-dibenzothiophen-1-yl-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 4-dibenzothiophen-1-yl-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridine is c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4oc5c(-c6cccc7sc8ccccc8c67)ccnc5c34)n2)cc1.
What is the InChIKey of 4-dibenzothiophen-1-yl-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridine?
The InChIKey is NVNFSZNBWKJKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N4OS/c1-2-11-26(12-3-1)40-44-41(28-21-20-25-10-4-5-13-27(25)24-28)46-42(45-40)32-16-8-17-33-37(32)38-39(47-33)30(22-23-43-38)29-15-9-19-35-36(29)31-14-6-7-18-34(31)48-35/h1-24H.
What are the key properties of 4-dibenzothiophen-1-yl-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridine?
4-dibenzothiophen-1-yl-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]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 4-dibenzothiophen-1-yl-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 168784933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).