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

C59H35N3OS — CID 166743509

IUPAC2-dibenzothiophen-2-yl-4-[2-(7-naphthalen-1-yldibenzofuran-1-yl)phenyl]-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5sc6ccccc6c5c4)nc(-c4ccccc4-c4cccc5oc6cc(-c7cccc8ccccc78)ccc6c45)n3)c3ccccc23)cc1
InChIInChI=1S/C59H35N3OS/c1-2-14-36(15-3-1)42-31-32-49(44-20-7-6-19-43(42)44)59-61-57(39-29-33-55-51(34-39)46-22-10-11-27-54(46)64-55)60-58(62-59)48-23-9-8-21-45(48)47-25-13-26-52-56(47)50-30-28-38(35-53(50)63-52)41-24-12-17-37-16-4-5-18-40(37)41/h1-35H
InChIKeyZBUMYSSCNYDNSS-UHFFFAOYSA-N
MW834.02 g/mol
LogP16.45
Rot. Bonds6

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

2-dibenzothiophen-2-yl-4-[2-(7-naphthalen-1-yldibenzofuran-1-yl)phenyl]-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine (PubChem CID 166743509) has the molecular formula C59H35N3OS and a molecular weight of 834.02 g/mol. Its IUPAC name is 2-dibenzothiophen-2-yl-4-[2-(7-naphthalen-1-yldibenzofuran-1-yl)phenyl]-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-2-yl-4-[2-(7-naphthalen-1-yldibenzofuran-1-yl)phenyl]-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
PubChem CID166743509
Molecular FormulaC59H35N3OS
Molecular Weight834.02 g/mol
Exact Mass833.25
IUPAC Name2-dibenzothiophen-2-yl-4-[2-(7-naphthalen-1-yldibenzofuran-1-yl)phenyl]-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5sc6ccccc6c5c4)nc(-c4ccccc4-c4cccc5oc6cc(-c7cccc8ccccc78)ccc6c45)n3)c3ccccc23)cc1
InChIInChI=1S/C59H35N3OS/c1-2-14-36(15-3-1)42-31-32-49(44-20-7-6-19-43(42)44)59-61-57(39-29-33-55-51(34-39)46-22-10-11-27-54(46)64-55)60-58(62-59)48-23-9-8-21-45(48)47-25-13-26-52-56(47)50-30-28-38(35-53(50)63-52)41-24-12-17-37-16-4-5-18-40(37)41/h1-35H
InChIKeyZBUMYSSCNYDNSS-UHFFFAOYSA-N
XLogP16.45
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.02
LogP ≤ 516.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-naphthalen-1-yl-4-(4-naphthalen-1-ylphenyl)-6-[4-(9-phenyldibenzofuran-3-yl)naphthalen-1-yl]-1,3,5-triazine
CID 170213995
2-dibenzothiophen-3-yl-4-[4-(7-dibenzothiophen-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 166742671
2-[9-(2-dibenzothiophen-3-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170191917
2-dibenzothiophen-2-yl-4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazine
CID 163634296
2-dibenzofuran-1-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 162780117
2-dibenzofuran-3-yl-4-[9-(2-dibenzothiophen-3-ylphenyl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
CID 170192548
2-(9-dibenzofuran-3-yldibenzofuran-1-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 167007548
2-(3-dibenzofuran-1-ylphenyl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 166743455
2-dibenzofuran-1-yl-4-phenyl-6-[8-[2-(2-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 140946542
2-(7-naphtho[1,2-b][1]benzothiol-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741125
2-(2-dibenzofuran-1-ylphenyl)-4-phenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine;2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine;2-(4-dibenzofuran-3-ylphenyl)-4-phenyl-6-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine;2-(3-dibenzothiophen-2-ylphenyl)-4-phenyl-6-[8-[2-(2-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-phenyl-6-[8-[2-(2-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 159756068
2-dibenzothiophen-2-yl-4-(7-dibenzothiophen-3-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 166743055

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-2-yl-4-[2-(7-naphthalen-1-yldibenzofuran-1-yl)phenyl]-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-2-yl-4-[2-(7-naphthalen-1-yldibenzofuran-1-yl)phenyl]-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine (CID 166743509) is 2-dibenzothiophen-2-yl-4-[2-(7-naphthalen-1-yldibenzofuran-1-yl)phenyl]-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-2-yl-4-[2-(7-naphthalen-1-yldibenzofuran-1-yl)phenyl]-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-2-yl-4-[2-(7-naphthalen-1-yldibenzofuran-1-yl)phenyl]-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc5sc6ccccc6c5c4)nc(-c4ccccc4-c4cccc5oc6cc(-c7cccc8ccccc78)ccc6c45)n3)c3ccccc23)cc1.
What is the InChIKey of 2-dibenzothiophen-2-yl-4-[2-(7-naphthalen-1-yldibenzofuran-1-yl)phenyl]-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine?
The InChIKey is ZBUMYSSCNYDNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H35N3OS/c1-2-14-36(15-3-1)42-31-32-49(44-20-7-6-19-43(42)44)59-61-57(39-29-33-55-51(34-39)46-22-10-11-27-54(46)64-55)60-58(62-59)48-23-9-8-21-45(48)47-25-13-26-52-56(47)50-30-28-38(35-53(50)63-52)41-24-12-17-37-16-4-5-18-40(37)41/h1-35H.
What are the key properties of 2-dibenzothiophen-2-yl-4-[2-(7-naphthalen-1-yldibenzofuran-1-yl)phenyl]-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine?
2-dibenzothiophen-2-yl-4-[2-(7-naphthalen-1-yldibenzofuran-1-yl)phenyl]-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine has a molecular weight of 834.02 g/mol, XLogP of 16.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-2-yl-4-[2-(7-naphthalen-1-yldibenzofuran-1-yl)phenyl]-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine is sourced from PubChem (CID 166743509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).