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

C61H39N3S — CID 164942463

IUPAC2-[4-[3-(4-dibenzothiophen-4-ylphenyl)naphthalen-1-yl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccccc2-c2nc(-c3ccc(-c4cc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)cc5ccccc45)cc3)nc(-c3ccccc3-c3ccccc3)n2)cc1
InChIInChI=1S/C61H39N3S/c1-3-16-41(17-4-1)48-21-9-11-25-54(48)60-62-59(63-61(64-60)55-26-12-10-22-49(55)42-18-5-2-6-19-42)45-36-34-44(35-37-45)56-39-47(38-46-20-7-8-23-50(46)56)40-30-32-43(33-31-40)51-27-15-28-53-52-24-13-14-29-57(52)65-58(51)53/h1-39H
InChIKeyBCLNRRIMGFMYOJ-UHFFFAOYSA-N
MW846.07 g/mol
LogP16.73
Rot. Bonds8

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

2-[4-[3-(4-dibenzothiophen-4-ylphenyl)naphthalen-1-yl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine (PubChem CID 164942463) has the molecular formula C61H39N3S and a molecular weight of 846.07 g/mol. Its IUPAC name is 2-[4-[3-(4-dibenzothiophen-4-ylphenyl)naphthalen-1-yl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[3-(4-dibenzothiophen-4-ylphenyl)naphthalen-1-yl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
PubChem CID164942463
Molecular FormulaC61H39N3S
Molecular Weight846.07 g/mol
Exact Mass845.29
IUPAC Name2-[4-[3-(4-dibenzothiophen-4-ylphenyl)naphthalen-1-yl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccccc2-c2nc(-c3ccc(-c4cc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)cc5ccccc45)cc3)nc(-c3ccccc3-c3ccccc3)n2)cc1
InChIInChI=1S/C61H39N3S/c1-3-16-41(17-4-1)48-21-9-11-25-54(48)60-62-59(63-61(64-60)55-26-12-10-22-49(55)42-18-5-2-6-19-42)45-36-34-44(35-37-45)56-39-47(38-46-20-7-8-23-50(46)56)40-30-32-43(33-31-40)51-27-15-28-53-52-24-13-14-29-57(52)65-58(51)53/h1-39H
InChIKeyBCLNRRIMGFMYOJ-UHFFFAOYSA-N
XLogP16.73
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500846.07
LogP ≤ 516.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425247
2-(3-dibenzothiophen-4-yl-5-naphthalen-2-ylphenyl)-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 164942411
2-dibenzothiophen-4-yl-4-[4-(4-phenanthren-9-ylnaphthalen-1-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-[4-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]-6-(2-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
CID 160884383
2-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164942648
2-(4-dibenzothiophen-4-ylphenyl)-4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850283
2-dibenzothiophen-4-yl-4-naphthalen-1-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 177112658
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425260
2-dibenzothiophen-4-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 168831660
2-dibenzothiophen-4-yl-4-(6-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 176587486
2,4-di(dibenzothiophen-4-yl)-6-[4-phenyl-2-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 167349309
2-chloro-4-dibenzothiophen-4-yl-6-(5-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 177278899
2-dibenzothiophen-4-yl-4-phenyl-6-[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155763972

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-dibenzothiophen-4-ylphenyl)naphthalen-1-yl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[4-[3-(4-dibenzothiophen-4-ylphenyl)naphthalen-1-yl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine (CID 164942463) is 2-[4-[3-(4-dibenzothiophen-4-ylphenyl)naphthalen-1-yl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[4-[3-(4-dibenzothiophen-4-ylphenyl)naphthalen-1-yl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[4-[3-(4-dibenzothiophen-4-ylphenyl)naphthalen-1-yl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccccc2-c2nc(-c3ccc(-c4cc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)cc5ccccc45)cc3)nc(-c3ccccc3-c3ccccc3)n2)cc1.
What is the InChIKey of 2-[4-[3-(4-dibenzothiophen-4-ylphenyl)naphthalen-1-yl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine?
The InChIKey is BCLNRRIMGFMYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39N3S/c1-3-16-41(17-4-1)48-21-9-11-25-54(48)60-62-59(63-61(64-60)55-26-12-10-22-49(55)42-18-5-2-6-19-42)45-36-34-44(35-37-45)56-39-47(38-46-20-7-8-23-50(46)56)40-30-32-43(33-31-40)51-27-15-28-53-52-24-13-14-29-57(52)65-58(51)53/h1-39H.
What are the key properties of 2-[4-[3-(4-dibenzothiophen-4-ylphenyl)naphthalen-1-yl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine?
2-[4-[3-(4-dibenzothiophen-4-ylphenyl)naphthalen-1-yl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine has a molecular weight of 846.07 g/mol, XLogP of 16.73, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-dibenzothiophen-4-ylphenyl)naphthalen-1-yl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 164942463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).