2-(8-dibenzothiophen-1-ylnaphthalen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine

C41H25N3S — CID 146367339

IUPAC2-(8-dibenzothiophen-1-ylnaphthalen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4cccc(-c5cccc6sc7ccccc7c56)c4c3)n2)cc1
InChIInChI=1S/C41H25N3S/c1-2-11-28(12-3-1)39-42-40(30-22-20-26-10-4-5-13-29(26)24-30)44-41(43-39)31-23-21-27-14-8-16-32(35(27)25-31)33-17-9-19-37-38(33)34-15-6-7-18-36(34)45-37/h1-25H
InChIKeyAQHPDEXEKZPRFR-UHFFFAOYSA-N
MW591.74 g/mol
LogP11.21
Rot. Bonds4

About 2-(8-dibenzothiophen-1-ylnaphthalen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine

2-(8-dibenzothiophen-1-ylnaphthalen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine (PubChem CID 146367339) has the molecular formula C41H25N3S and a molecular weight of 591.74 g/mol. Its IUPAC name is 2-(8-dibenzothiophen-1-ylnaphthalen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(8-dibenzothiophen-1-ylnaphthalen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
PubChem CID146367339
Molecular FormulaC41H25N3S
Molecular Weight591.74 g/mol
Exact Mass591.18
IUPAC Name2-(8-dibenzothiophen-1-ylnaphthalen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4cccc(-c5cccc6sc7ccccc7c56)c4c3)n2)cc1
InChIInChI=1S/C41H25N3S/c1-2-11-28(12-3-1)39-42-40(30-22-20-26-10-4-5-13-29(26)24-30)44-41(43-39)31-23-21-27-14-8-16-32(35(27)25-31)33-17-9-19-37-38(33)34-15-6-7-18-36(34)45-37/h1-25H
InChIKeyAQHPDEXEKZPRFR-UHFFFAOYSA-N
XLogP11.21
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.74
LogP ≤ 511.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzothiophen-1-yl-4-(7-naphthalen-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176588371
2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 177119775
2-(3-dibenzothiophen-1-ylphenyl)-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 139304442
2-(4-dibenzothiophen-1-ylphenyl)-4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 159324879
2-dibenzothiophen-3-yl-4-[3-(8-naphthalen-2-ylnaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 168845077
4-dibenzothiophen-1-yl-6-naphthalen-2-yl-2-(8-phenylnaphthalen-2-yl)-1,3,5-diazaborinine
CID 177119646
2,4-dinaphthalen-1-yl-6-naphtho[2,1-b][1]benzothiol-2-yl-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-naphtho[2,1-b][1]benzothiol-4-yl-1,3,5-triazine;2-naphthalen-1-yl-4-naphthalen-2-yl-6-naphtho[2,1-b][1]benzothiol-3-yl-1,3,5-triazine;2-naphthalen-1-yl-4-naphtho[2,1-b][1]benzothiol-1-yl-6-phenyl-1,3,5-triazine
CID 159219658
2-naphthalen-2-yl-4-phenyl-6-[4-(11-thiahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)naphthalen-1-yl]-1,3,5-triazine
CID 163885835
2-(8-chrysen-2-yldibenzothiophen-1-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine
CID 155762434
2-[3-(3-naphtho[2,1-b][1]benzothiol-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 134430175
2-dibenzothiophen-1-yl-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
CID 139305007
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(7-phenyldibenzothiophen-1-yl)-1,3,5-triazine
CID 154934432

Frequently Asked Questions

What is the IUPAC name of 2-(8-dibenzothiophen-1-ylnaphthalen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(8-dibenzothiophen-1-ylnaphthalen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine (CID 146367339) is 2-(8-dibenzothiophen-1-ylnaphthalen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(8-dibenzothiophen-1-ylnaphthalen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(8-dibenzothiophen-1-ylnaphthalen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4cccc(-c5cccc6sc7ccccc7c56)c4c3)n2)cc1.
What is the InChIKey of 2-(8-dibenzothiophen-1-ylnaphthalen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
The InChIKey is AQHPDEXEKZPRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N3S/c1-2-11-28(12-3-1)39-42-40(30-22-20-26-10-4-5-13-29(26)24-30)44-41(43-39)31-23-21-27-14-8-16-32(35(27)25-31)33-17-9-19-37-38(33)34-15-6-7-18-36(34)45-37/h1-25H.
What are the key properties of 2-(8-dibenzothiophen-1-ylnaphthalen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
2-(8-dibenzothiophen-1-ylnaphthalen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine has a molecular weight of 591.74 g/mol, XLogP of 11.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-dibenzothiophen-1-ylnaphthalen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 146367339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).