2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine

C57H35N3S — CID 139441760

IUPAC2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc3ccc(-c4ccc(-c5nc(-c6ccc(-c7cccc8ccccc78)c7ccccc67)nc(-c6cccc7c6sc6ccccc67)n5)cc4)cc3c2)cc1
InChIInChI=1S/C57H35N3S/c1-2-12-36(13-3-1)41-30-26-38-27-31-42(35-43(38)34-41)37-24-28-40(29-25-37)55-58-56(60-57(59-55)52-22-11-21-50-49-19-8-9-23-53(49)61-54(50)52)51-33-32-48(46-17-6-7-18-47(46)51)45-20-10-15-39-14-4-5-16-44(39)45/h1-35H
InChIKeyZVEHPKVDJFRJLD-UHFFFAOYSA-N
MW794.00 g/mol
LogP15.70
Rot. Bonds6

About 2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine

2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine (PubChem CID 139441760) has the molecular formula C57H35N3S and a molecular weight of 794.00 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
PubChem CID139441760
Molecular FormulaC57H35N3S
Molecular Weight794.00 g/mol
Exact Mass793.26
IUPAC Name2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc3ccc(-c4ccc(-c5nc(-c6ccc(-c7cccc8ccccc78)c7ccccc67)nc(-c6cccc7c6sc6ccccc67)n5)cc4)cc3c2)cc1
InChIInChI=1S/C57H35N3S/c1-2-12-36(13-3-1)41-30-26-38-27-31-42(35-43(38)34-41)37-24-28-40(29-25-37)55-58-56(60-57(59-55)52-22-11-21-50-49-19-8-9-23-53(49)61-54(50)52)51-33-32-48(46-17-6-7-18-47(46)51)45-20-10-15-39-14-4-5-16-44(39)45/h1-35H
InChIKeyZVEHPKVDJFRJLD-UHFFFAOYSA-N
XLogP15.70
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.00
LogP ≤ 515.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-naphthalen-1-yl-6-[7-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 139442042
2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[4-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 139441659
2-dibenzothiophen-4-yl-4-[4-(7-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441660
2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-[7-(3-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-[7-(3-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylphenyl)-6-[7-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[7-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(4-phenylnaphthalen-1-yl)-6-[7-(3-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[7-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
CID 158835508
2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[7-(3-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
CID 139441952
2-dibenzothiophen-4-yl-4-naphthalen-1-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 177112658
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-(3-naphthalen-1-ylphenyl)-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 161018088
2-dibenzothiophen-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441895
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-ylphenyl)-6-[7-[3-[3-[4-[4-(4-phenylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]phenyl]naphthalen-1-yl]-1,3,5-triazine
CID 139441960

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine (CID 139441760) is 2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine is c1ccc(-c2ccc3ccc(-c4ccc(-c5nc(-c6ccc(-c7cccc8ccccc78)c7ccccc67)nc(-c6cccc7c6sc6ccccc67)n5)cc4)cc3c2)cc1.
What is the InChIKey of 2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine?
The InChIKey is ZVEHPKVDJFRJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N3S/c1-2-12-36(13-3-1)41-30-26-38-27-31-42(35-43(38)34-41)37-24-28-40(29-25-37)55-58-56(60-57(59-55)52-22-11-21-50-49-19-8-9-23-53(49)61-54(50)52)51-33-32-48(46-17-6-7-18-47(46)51)45-20-10-15-39-14-4-5-16-44(39)45/h1-35H.
What are the key properties of 2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine?
2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine has a molecular weight of 794.00 g/mol, XLogP of 15.70, 6 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-(4-naphthalen-1-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 139441760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).