2-naphthalen-2-yl-4-phenyl-6-[2-(3-phenylphenyl)dibenzothiophen-1-yl]-1,3,5-triazine

C43H27N3S — CID 160765103

IUPAC2-naphthalen-2-yl-4-phenyl-6-[2-(3-phenylphenyl)dibenzothiophen-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3ccc4sc5ccccc5c4c3-c3nc(-c4ccccc4)nc(-c4ccc5ccccc5c4)n3)c2)cc1
InChIInChI=1S/C43H27N3S/c1-3-12-28(13-4-1)32-18-11-19-33(26-32)35-24-25-38-39(36-20-9-10-21-37(36)47-38)40(35)43-45-41(30-15-5-2-6-16-30)44-42(46-43)34-23-22-29-14-7-8-17-31(29)27-34/h1-27H
InChIKeyRYORZTONGCJSKN-UHFFFAOYSA-N
MW617.78 g/mol
LogP11.73
Rot. Bonds5

About 2-naphthalen-2-yl-4-phenyl-6-[2-(3-phenylphenyl)dibenzothiophen-1-yl]-1,3,5-triazine

2-naphthalen-2-yl-4-phenyl-6-[2-(3-phenylphenyl)dibenzothiophen-1-yl]-1,3,5-triazine (PubChem CID 160765103) has the molecular formula C43H27N3S and a molecular weight of 617.78 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-phenyl-6-[2-(3-phenylphenyl)dibenzothiophen-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-phenyl-6-[2-(3-phenylphenyl)dibenzothiophen-1-yl]-1,3,5-triazine
PubChem CID160765103
Molecular FormulaC43H27N3S
Molecular Weight617.78 g/mol
Exact Mass617.19
IUPAC Name2-naphthalen-2-yl-4-phenyl-6-[2-(3-phenylphenyl)dibenzothiophen-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3ccc4sc5ccccc5c4c3-c3nc(-c4ccccc4)nc(-c4ccc5ccccc5c4)n3)c2)cc1
InChIInChI=1S/C43H27N3S/c1-3-12-28(13-4-1)32-18-11-19-33(26-32)35-24-25-38-39(36-20-9-10-21-37(36)47-38)40(35)43-45-41(30-15-5-2-6-16-30)44-42(46-43)34-23-22-29-14-7-8-17-31(29)27-34/h1-27H
InChIKeyRYORZTONGCJSKN-UHFFFAOYSA-N
XLogP11.73
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.78
LogP ≤ 511.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-naphthalen-2-yl-4-(2-phenyldibenzothiophen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 163574454
2,4-diphenyl-6-(2-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazine
CID 147282825
2-[4-[2-(4-phenanthren-2-ylphenyl)dibenzothiophen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 142491022
2-(3-dibenzothiophen-1-ylphenyl)-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 139304442
2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 177119775
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
4-(3-dibenzothiophen-1-yl-5-phenylphenyl)-6-naphthalen-2-yl-2-(3-phenylphenyl)pyrimidine
CID 171584997
2-dibenzothiophen-1-yl-4-(7-naphthalen-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176588371
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-[3-(9-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine
CID 170214084
2-(3-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)-6-[6-(3-phenylphenyl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 164808507
2-(8-dibenzothiophen-1-ylnaphthalen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 146367339
2-naphthalen-2-yl-4-[4-(1-phenyldibenzothiophen-3-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174328770

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-phenyl-6-[2-(3-phenylphenyl)dibenzothiophen-1-yl]-1,3,5-triazine?
The IUPAC name of 2-naphthalen-2-yl-4-phenyl-6-[2-(3-phenylphenyl)dibenzothiophen-1-yl]-1,3,5-triazine (CID 160765103) is 2-naphthalen-2-yl-4-phenyl-6-[2-(3-phenylphenyl)dibenzothiophen-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-2-yl-4-phenyl-6-[2-(3-phenylphenyl)dibenzothiophen-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-2-yl-4-phenyl-6-[2-(3-phenylphenyl)dibenzothiophen-1-yl]-1,3,5-triazine is c1ccc(-c2cccc(-c3ccc4sc5ccccc5c4c3-c3nc(-c4ccccc4)nc(-c4ccc5ccccc5c4)n3)c2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-4-phenyl-6-[2-(3-phenylphenyl)dibenzothiophen-1-yl]-1,3,5-triazine?
The InChIKey is RYORZTONGCJSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3S/c1-3-12-28(13-4-1)32-18-11-19-33(26-32)35-24-25-38-39(36-20-9-10-21-37(36)47-38)40(35)43-45-41(30-15-5-2-6-16-30)44-42(46-43)34-23-22-29-14-7-8-17-31(29)27-34/h1-27H.
What are the key properties of 2-naphthalen-2-yl-4-phenyl-6-[2-(3-phenylphenyl)dibenzothiophen-1-yl]-1,3,5-triazine?
2-naphthalen-2-yl-4-phenyl-6-[2-(3-phenylphenyl)dibenzothiophen-1-yl]-1,3,5-triazine has a molecular weight of 617.78 g/mol, XLogP of 11.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-4-phenyl-6-[2-(3-phenylphenyl)dibenzothiophen-1-yl]-1,3,5-triazine is sourced from PubChem (CID 160765103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).