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

C45H27N3S — CID 147229387

IUPAC2-(8-dibenzothiophen-2-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESc1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5cccc(-c6ccc7sc8ccccc8c7c6)c45)n3)ccc2c1
InChIInChI=1S/C45H27N3S/c1-3-11-31-25-34(21-19-28(31)9-1)43-46-44(35-22-20-29-10-2-4-12-32(29)26-35)48-45(47-43)38-17-8-14-30-13-7-16-36(42(30)38)33-23-24-41-39(27-33)37-15-5-6-18-40(37)49-41/h1-27H
InChIKeyCIPLIRUZIHHLEM-UHFFFAOYSA-N
MW641.80 g/mol
LogP12.37
Rot. Bonds4

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

2-(8-dibenzothiophen-2-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine (PubChem CID 147229387) has the molecular formula C45H27N3S and a molecular weight of 641.80 g/mol. Its IUPAC name is 2-(8-dibenzothiophen-2-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(8-dibenzothiophen-2-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
PubChem CID147229387
Molecular FormulaC45H27N3S
Molecular Weight641.80 g/mol
Exact Mass641.19
IUPAC Name2-(8-dibenzothiophen-2-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESc1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5cccc(-c6ccc7sc8ccccc8c7c6)c45)n3)ccc2c1
InChIInChI=1S/C45H27N3S/c1-3-11-31-25-34(21-19-28(31)9-1)43-46-44(35-22-20-29-10-2-4-12-32(29)26-35)48-45(47-43)38-17-8-14-30-13-7-16-36(42(30)38)33-23-24-41-39(27-33)37-15-5-6-18-40(37)49-41/h1-27H
InChIKeyCIPLIRUZIHHLEM-UHFFFAOYSA-N
XLogP12.37
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.80
LogP ≤ 512.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-dibenzothiophen-3-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(8-dibenzothiophen-2-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(3-dibenzothiophen-3-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-(8-dibenzothiophen-2-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 165036046
2-dibenzothiophen-2-yl-4-phenanthren-4-yl-6-(2-phenylphenyl)-1,3,5-triazine
CID 169278929
2-(2-dibenzothiophen-2-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 172545497
2-dibenzothiophen-2-yl-4-(7-dibenzothiophen-3-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 166743055
2-(9-dibenzothiophen-2-yldibenzofuran-1-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 167007911
2-dibenzothiophen-2-yl-4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine
CID 155050063
2-(9-dibenzothiophen-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenanthren-2-yl-1,3,5-triazine
CID 170362704
2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 177119775
2-dibenzothiophen-2-yl-4-(4-phenanthren-4-ylphenyl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 169278832
[2-(4-dibenzothiophen-2-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane
CID 166569865
2-dibenzothiophen-2-yl-4-[2-[2-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 167412451
2-chrysen-3-yl-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine;2-chrysen-3-yl-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine;2-chrysen-3-yl-4-dibenzothiophen-2-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 165017043

Frequently Asked Questions

What is the IUPAC name of 2-(8-dibenzothiophen-2-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-(8-dibenzothiophen-2-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine (CID 147229387) is 2-(8-dibenzothiophen-2-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-(8-dibenzothiophen-2-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-(8-dibenzothiophen-2-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine is c1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5cccc(-c6ccc7sc8ccccc8c7c6)c45)n3)ccc2c1.
What is the InChIKey of 2-(8-dibenzothiophen-2-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The InChIKey is CIPLIRUZIHHLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3S/c1-3-11-31-25-34(21-19-28(31)9-1)43-46-44(35-22-20-29-10-2-4-12-32(29)26-35)48-45(47-43)38-17-8-14-30-13-7-16-36(42(30)38)33-23-24-41-39(27-33)37-15-5-6-18-40(37)49-41/h1-27H.
What are the key properties of 2-(8-dibenzothiophen-2-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?
2-(8-dibenzothiophen-2-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine has a molecular weight of 641.80 g/mol, XLogP of 12.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-dibenzothiophen-2-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 147229387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).