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

C55H33N3S — CID 155481014

IUPAC2-dibenzothiophen-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine
SMILESc1ccc2cc(-c3ccc4ccccc4c3-c3nc(-c4ccc(-c5ccc6ccccc6c5)c5ccccc45)nc(-c4cccc5c4sc4ccccc45)n3)ccc2c1
InChIInChI=1S/C55H33N3S/c1-3-15-37-32-39(26-24-34(37)12-1)41-30-31-48(45-19-8-7-18-44(41)45)53-56-54(49-22-11-21-47-46-20-9-10-23-50(46)59-52(47)49)58-55(57-53)51-42-17-6-5-14-36(42)28-29-43(51)40-27-25-35-13-2-4-16-38(35)33-40/h1-33H
InChIKeyDJDRTUIYDPYUPO-UHFFFAOYSA-N
MW767.96 g/mol
LogP15.19
Rot. Bonds5

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

2-dibenzothiophen-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine (PubChem CID 155481014) has the molecular formula C55H33N3S and a molecular weight of 767.96 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine
PubChem CID155481014
Molecular FormulaC55H33N3S
Molecular Weight767.96 g/mol
Exact Mass767.24
IUPAC Name2-dibenzothiophen-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine
SMILESc1ccc2cc(-c3ccc4ccccc4c3-c3nc(-c4ccc(-c5ccc6ccccc6c5)c5ccccc45)nc(-c4cccc5c4sc4ccccc45)n3)ccc2c1
InChIInChI=1S/C55H33N3S/c1-3-15-37-32-39(26-24-34(37)12-1)41-30-31-48(45-19-8-7-18-44(41)45)53-56-54(49-22-11-21-47-46-20-9-10-23-50(46)59-52(47)49)58-55(57-53)51-42-17-6-5-14-36(42)28-29-43(51)40-27-25-35-13-2-4-16-38(35)33-40/h1-33H
InChIKeyDJDRTUIYDPYUPO-UHFFFAOYSA-N
XLogP15.19
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.96
LogP ≤ 515.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzothiophen-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-[4-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
CID 139442322
2-dibenzothiophen-4-yl-4-(2-phenylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine
CID 139441789
2-dibenzothiophen-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-(4-phenanthren-9-ylnaphthalen-1-yl)-1,3,5-triazine
CID 139441643
2-dibenzothiophen-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 139441673
2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[4-(4-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(2-phenylnaphthalen-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(4-phenylnaphthalen-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-[4-(4-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 162204880
2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-[7-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
CID 139441787
2-dibenzothiophen-4-yl-4,6-bis(2-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 155480714
2-dibenzothiophen-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-[7-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine
CID 155480726
2-dibenzothiophen-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 139441932
2-dibenzothiophen-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 155480695
2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 139442311
2-dibenzothiophen-4-yl-4-(2-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 139442293

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine (CID 155481014) is 2-dibenzothiophen-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine is c1ccc2cc(-c3ccc4ccccc4c3-c3nc(-c4ccc(-c5ccc6ccccc6c5)c5ccccc45)nc(-c4cccc5c4sc4ccccc45)n3)ccc2c1.
What is the InChIKey of 2-dibenzothiophen-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine?
The InChIKey is DJDRTUIYDPYUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N3S/c1-3-15-37-32-39(26-24-34(37)12-1)41-30-31-48(45-19-8-7-18-44(41)45)53-56-54(49-22-11-21-47-46-20-9-10-23-50(46)59-52(47)49)58-55(57-53)51-42-17-6-5-14-36(42)28-29-43(51)40-27-25-35-13-2-4-16-38(35)33-40/h1-33H.
What are the key properties of 2-dibenzothiophen-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine?
2-dibenzothiophen-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine has a molecular weight of 767.96 g/mol, XLogP of 15.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine is sourced from PubChem (CID 155481014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).