2-(4-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[1,2-b][1]benzothiol-8-yl-6-(2-phenyldibenzofuran-4-yl)-1,3,5-triazine

C57H33N3OS — CID 170305329

IUPAC2-(4-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[1,2-b][1]benzothiol-8-yl-6-(2-phenyldibenzofuran-4-yl)-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3nc(-c4ccc5sc6c7ccccc7ccc6c5c4)nc(-c4ccc(-c5cccc6ccccc56)c5ccccc45)n3)c3oc4ccccc4c3c2)cc1
InChIInChI=1S/C57H33N3OS/c1-2-13-34(14-3-1)38-32-49-45-22-10-11-24-51(45)61-53(49)50(33-38)57-59-55(37-26-30-52-48(31-37)46-27-25-36-16-5-7-19-40(36)54(46)62-52)58-56(60-57)47-29-28-44(42-20-8-9-21-43(42)47)41-23-12-17-35-15-4-6-18-39(35)41/h1-33H
InChIKeyCXPLGSXLYHBCPM-UHFFFAOYSA-N
MW807.98 g/mol
LogP15.93
Rot. Bonds5

About 2-(4-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[1,2-b][1]benzothiol-8-yl-6-(2-phenyldibenzofuran-4-yl)-1,3,5-triazine

2-(4-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[1,2-b][1]benzothiol-8-yl-6-(2-phenyldibenzofuran-4-yl)-1,3,5-triazine (PubChem CID 170305329) has the molecular formula C57H33N3OS and a molecular weight of 807.98 g/mol. Its IUPAC name is 2-(4-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[1,2-b][1]benzothiol-8-yl-6-(2-phenyldibenzofuran-4-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[1,2-b][1]benzothiol-8-yl-6-(2-phenyldibenzofuran-4-yl)-1,3,5-triazine
PubChem CID170305329
Molecular FormulaC57H33N3OS
Molecular Weight807.98 g/mol
Exact Mass807.23
IUPAC Name2-(4-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[1,2-b][1]benzothiol-8-yl-6-(2-phenyldibenzofuran-4-yl)-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3nc(-c4ccc5sc6c7ccccc7ccc6c5c4)nc(-c4ccc(-c5cccc6ccccc56)c5ccccc45)n3)c3oc4ccccc4c3c2)cc1
InChIInChI=1S/C57H33N3OS/c1-2-13-34(14-3-1)38-32-49-45-22-10-11-24-51(45)61-53(49)50(33-38)57-59-55(37-26-30-52-48(31-37)46-27-25-36-16-5-7-19-40(36)54(46)62-52)58-56(60-57)47-29-28-44(42-20-8-9-21-43(42)47)41-23-12-17-35-15-4-6-18-39(35)41/h1-33H
InChIKeyCXPLGSXLYHBCPM-UHFFFAOYSA-N
XLogP15.93
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.98
LogP ≤ 515.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[1,2-b][1]benzothiol-8-yl-6-(2-phenyldibenzofuran-4-yl)-1,3,5-triazine with MolForge

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Related Compounds

2-naphthalen-1-yl-4-naphthalen-2-yl-6-(5-naphtho[1,2-b][1]benzofuran-5-ylnaphthalen-1-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-(7-naphtho[1,2-b][1]benzofuran-2-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(7-naphtho[1,2-b][1]benzothiol-4-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-(3-naphtho[1,2-b][1]benzothiol-3-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 163736359
2-dibenzofuran-4-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine
CID 170362985
2-dibenzofuran-4-yl-4-naphtho[1,2-b][1]benzothiol-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 163544939
2-(9-naphthalen-1-yldibenzofuran-4-yl)-4-(3-phenylphenyl)-6-[8-(2-phenylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine
CID 138519802
2-dibenzofuran-1-yl-4-phenyl-6-[6-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 170202632
2-(8-naphtho[1,2-b][1]benzothiol-8-yldibenzofuran-1-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 166742638
2-(4-naphthalen-2-ylphenyl)-4-naphtho[1,2-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazine;2-naphtho[1,2-b][1]benzofuran-7-yl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-naphtho[1,2-b][1]benzothiol-1-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-naphtho[1,2-b][1]benzothiol-7-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 167671740
2-(6-phenyldibenzofuran-3-yl)-4-(6-phenyldibenzothiophen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 138519471
2-dibenzofuran-3-yl-4-naphtho[1,2-b][1]benzothiol-7-yl-6-phenyl-1,3,5-triazine
CID 162504545
2-dibenzofuran-3-yl-4-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850202
2-dibenzofuran-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 155763951
2-dibenzofuran-4-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168731919

Frequently Asked Questions

What is the IUPAC name of 2-(4-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[1,2-b][1]benzothiol-8-yl-6-(2-phenyldibenzofuran-4-yl)-1,3,5-triazine?
The IUPAC name of 2-(4-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[1,2-b][1]benzothiol-8-yl-6-(2-phenyldibenzofuran-4-yl)-1,3,5-triazine (CID 170305329) is 2-(4-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[1,2-b][1]benzothiol-8-yl-6-(2-phenyldibenzofuran-4-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(4-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[1,2-b][1]benzothiol-8-yl-6-(2-phenyldibenzofuran-4-yl)-1,3,5-triazine?
The canonical SMILES for 2-(4-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[1,2-b][1]benzothiol-8-yl-6-(2-phenyldibenzofuran-4-yl)-1,3,5-triazine is c1ccc(-c2cc(-c3nc(-c4ccc5sc6c7ccccc7ccc6c5c4)nc(-c4ccc(-c5cccc6ccccc56)c5ccccc45)n3)c3oc4ccccc4c3c2)cc1.
What is the InChIKey of 2-(4-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[1,2-b][1]benzothiol-8-yl-6-(2-phenyldibenzofuran-4-yl)-1,3,5-triazine?
The InChIKey is CXPLGSXLYHBCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H33N3OS/c1-2-13-34(14-3-1)38-32-49-45-22-10-11-24-51(45)61-53(49)50(33-38)57-59-55(37-26-30-52-48(31-37)46-27-25-36-16-5-7-19-40(36)54(46)62-52)58-56(60-57)47-29-28-44(42-20-8-9-21-43(42)47)41-23-12-17-35-15-4-6-18-39(35)41/h1-33H.
What are the key properties of 2-(4-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[1,2-b][1]benzothiol-8-yl-6-(2-phenyldibenzofuran-4-yl)-1,3,5-triazine?
2-(4-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[1,2-b][1]benzothiol-8-yl-6-(2-phenyldibenzofuran-4-yl)-1,3,5-triazine has a molecular weight of 807.98 g/mol, XLogP of 15.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[1,2-b][1]benzothiol-8-yl-6-(2-phenyldibenzofuran-4-yl)-1,3,5-triazine is sourced from PubChem (CID 170305329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).