2-naphthalen-2-yl-4-[8-(3-naphthalen-1-ylpyrazin-2-yl)dibenzofuran-4-yl]-6-(8-phenyldibenzothiophen-2-yl)-1,3,5-triazine

C57H33N5OS — CID 138519476

IUPAC2-naphthalen-2-yl-4-[8-(3-naphthalen-1-ylpyrazin-2-yl)dibenzofuran-4-yl]-6-(8-phenyldibenzothiophen-2-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3sc4ccc(-c5nc(-c6ccc7ccccc7c6)nc(-c6cccc7c6oc6ccc(-c8nccnc8-c8cccc9ccccc89)cc67)n5)cc4c3c2)cc1
InChIInChI=1S/C57H33N5OS/c1-2-10-34(11-3-1)38-23-26-50-47(31-38)48-33-41(24-27-51(48)64-50)56-60-55(40-21-20-35-12-4-5-14-37(35)30-40)61-57(62-56)45-19-9-18-44-46-32-39(22-25-49(46)63-54(44)45)52-53(59-29-28-58-52)43-17-8-15-36-13-6-7-16-42(36)43/h1-33H
InChIKeyJAIYSFRDYIINND-UHFFFAOYSA-N
MW835.99 g/mol
LogP15.24
Rot. Bonds6

About 2-naphthalen-2-yl-4-[8-(3-naphthalen-1-ylpyrazin-2-yl)dibenzofuran-4-yl]-6-(8-phenyldibenzothiophen-2-yl)-1,3,5-triazine

2-naphthalen-2-yl-4-[8-(3-naphthalen-1-ylpyrazin-2-yl)dibenzofuran-4-yl]-6-(8-phenyldibenzothiophen-2-yl)-1,3,5-triazine (PubChem CID 138519476) has the molecular formula C57H33N5OS and a molecular weight of 835.99 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-[8-(3-naphthalen-1-ylpyrazin-2-yl)dibenzofuran-4-yl]-6-(8-phenyldibenzothiophen-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-[8-(3-naphthalen-1-ylpyrazin-2-yl)dibenzofuran-4-yl]-6-(8-phenyldibenzothiophen-2-yl)-1,3,5-triazine
PubChem CID138519476
Molecular FormulaC57H33N5OS
Molecular Weight835.99 g/mol
Exact Mass835.24
IUPAC Name2-naphthalen-2-yl-4-[8-(3-naphthalen-1-ylpyrazin-2-yl)dibenzofuran-4-yl]-6-(8-phenyldibenzothiophen-2-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3sc4ccc(-c5nc(-c6ccc7ccccc7c6)nc(-c6cccc7c6oc6ccc(-c8nccnc8-c8cccc9ccccc89)cc67)n5)cc4c3c2)cc1
InChIInChI=1S/C57H33N5OS/c1-2-10-34(11-3-1)38-23-26-50-47(31-38)48-33-41(24-27-51(48)64-50)56-60-55(40-21-20-35-12-4-5-14-37(35)30-40)61-57(62-56)45-19-9-18-44-46-32-39(22-25-49(46)63-54(44)45)52-53(59-29-28-58-52)43-17-8-15-36-13-6-7-16-42(36)43/h1-33H
InChIKeyJAIYSFRDYIINND-UHFFFAOYSA-N
XLogP15.24
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.99
LogP ≤ 515.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-naphthalen-2-yl-4-[8-(3-naphthalen-1-ylpyrazin-2-yl)dibenzofuran-4-yl]-6-(8-phenyldibenzothiophen-2-yl)-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-[8-(3-naphthalen-1-ylpyrazin-2-yl)dibenzofuran-4-yl]-6-(8-phenyldibenzothiophen-2-yl)-1,3,5-triazine?
The IUPAC name of 2-naphthalen-2-yl-4-[8-(3-naphthalen-1-ylpyrazin-2-yl)dibenzofuran-4-yl]-6-(8-phenyldibenzothiophen-2-yl)-1,3,5-triazine (CID 138519476) is 2-naphthalen-2-yl-4-[8-(3-naphthalen-1-ylpyrazin-2-yl)dibenzofuran-4-yl]-6-(8-phenyldibenzothiophen-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-2-yl-4-[8-(3-naphthalen-1-ylpyrazin-2-yl)dibenzofuran-4-yl]-6-(8-phenyldibenzothiophen-2-yl)-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-2-yl-4-[8-(3-naphthalen-1-ylpyrazin-2-yl)dibenzofuran-4-yl]-6-(8-phenyldibenzothiophen-2-yl)-1,3,5-triazine is c1ccc(-c2ccc3sc4ccc(-c5nc(-c6ccc7ccccc7c6)nc(-c6cccc7c6oc6ccc(-c8nccnc8-c8cccc9ccccc89)cc67)n5)cc4c3c2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-4-[8-(3-naphthalen-1-ylpyrazin-2-yl)dibenzofuran-4-yl]-6-(8-phenyldibenzothiophen-2-yl)-1,3,5-triazine?
The InChIKey is JAIYSFRDYIINND-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H33N5OS/c1-2-10-34(11-3-1)38-23-26-50-47(31-38)48-33-41(24-27-51(48)64-50)56-60-55(40-21-20-35-12-4-5-14-37(35)30-40)61-57(62-56)45-19-9-18-44-46-32-39(22-25-49(46)63-54(44)45)52-53(59-29-28-58-52)43-17-8-15-36-13-6-7-16-42(36)43/h1-33H.
What are the key properties of 2-naphthalen-2-yl-4-[8-(3-naphthalen-1-ylpyrazin-2-yl)dibenzofuran-4-yl]-6-(8-phenyldibenzothiophen-2-yl)-1,3,5-triazine?
2-naphthalen-2-yl-4-[8-(3-naphthalen-1-ylpyrazin-2-yl)dibenzofuran-4-yl]-6-(8-phenyldibenzothiophen-2-yl)-1,3,5-triazine has a molecular weight of 835.99 g/mol, XLogP of 15.24, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-4-[8-(3-naphthalen-1-ylpyrazin-2-yl)dibenzofuran-4-yl]-6-(8-phenyldibenzothiophen-2-yl)-1,3,5-triazine is sourced from PubChem (CID 138519476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).