2-(7-dibenzofuran-1-ylnaphthalen-2-yl)-4-(1,2-dihydrodibenzothiophen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine

C47H29N3OS — CID 166741701

IUPAC2-(7-dibenzofuran-1-ylnaphthalen-2-yl)-4-(1,2-dihydrodibenzothiophen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
SMILESC1=CC(c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccc(-c5cccc6oc7ccccc7c56)cc4c3)n2)Cc2c1sc1ccccc21
InChIInChI=1S/C47H29N3OS/c1-2-9-30-24-32(20-17-28(30)8-1)45-48-46(50-47(49-45)34-22-23-43-39(27-34)37-10-4-6-15-42(37)52-43)33-21-18-29-16-19-31(25-35(29)26-33)36-12-7-14-41-44(36)38-11-3-5-13-40(38)51-41/h1-26,34H,27H2
InChIKeyIWWXCKNMNAHYLN-UHFFFAOYSA-N
MW683.84 g/mol
LogP12.65
Rot. Bonds4

About 2-(7-dibenzofuran-1-ylnaphthalen-2-yl)-4-(1,2-dihydrodibenzothiophen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine

2-(7-dibenzofuran-1-ylnaphthalen-2-yl)-4-(1,2-dihydrodibenzothiophen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine (PubChem CID 166741701) has the molecular formula C47H29N3OS and a molecular weight of 683.84 g/mol. Its IUPAC name is 2-(7-dibenzofuran-1-ylnaphthalen-2-yl)-4-(1,2-dihydrodibenzothiophen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(7-dibenzofuran-1-ylnaphthalen-2-yl)-4-(1,2-dihydrodibenzothiophen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
PubChem CID166741701
Molecular FormulaC47H29N3OS
Molecular Weight683.84 g/mol
Exact Mass683.20
IUPAC Name2-(7-dibenzofuran-1-ylnaphthalen-2-yl)-4-(1,2-dihydrodibenzothiophen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
SMILESC1=CC(c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccc(-c5cccc6oc7ccccc7c56)cc4c3)n2)Cc2c1sc1ccccc21
InChIInChI=1S/C47H29N3OS/c1-2-9-30-24-32(20-17-28(30)8-1)45-48-46(50-47(49-45)34-22-23-43-39(27-34)37-10-4-6-15-42(37)52-43)33-21-18-29-16-19-31(25-35(29)26-33)36-12-7-14-41-44(36)38-11-3-5-13-40(38)51-41/h1-26,34H,27H2
InChIKeyIWWXCKNMNAHYLN-UHFFFAOYSA-N
XLogP12.65
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.84
LogP ≤ 512.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(7-dibenzofuran-1-ylnaphthalen-2-yl)-4-(1,2-dihydrodibenzothiophen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine with MolForge

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Related Compounds

2-(7-dibenzofuran-1-yl-1,2-dihydronaphthalen-2-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 167182670
2-dibenzofuran-1-yl-4-(7-dibenzofuran-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 167008364
2-dibenzothiophen-1-yl-4-[7-(8,9-dihydrodibenzothiophen-1-yl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine
CID 170011861
2-(3-dibenzofuran-1-ylphenyl)-4-(1,2-dihydronaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 167008024
2-(7-dibenzofuran-1-ylnaphthalen-2-yl)-4-(1,2-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 170123504
2-(7-dibenzofuran-1-ylnaphthalen-2-yl)-4-dibenzothiophen-1-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741718
2-(4-dibenzofuran-1-ylphenyl)-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 166743049
2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-(1,2-dihydronaphthalen-2-yl)-1,3,5-triazine
CID 170123189
2-(3-dibenzofuran-1-ylphenyl)-4-(6-naphthalen-2-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 170016833
2-(6-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 164737139
2-(7-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 146918323
2-[9-(2-dibenzofuran-1-ylphenyl)-3,4-dihydrodibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170192008

Frequently Asked Questions

What is the IUPAC name of 2-(7-dibenzofuran-1-ylnaphthalen-2-yl)-4-(1,2-dihydrodibenzothiophen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-(7-dibenzofuran-1-ylnaphthalen-2-yl)-4-(1,2-dihydrodibenzothiophen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine (CID 166741701) is 2-(7-dibenzofuran-1-ylnaphthalen-2-yl)-4-(1,2-dihydrodibenzothiophen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-(7-dibenzofuran-1-ylnaphthalen-2-yl)-4-(1,2-dihydrodibenzothiophen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-(7-dibenzofuran-1-ylnaphthalen-2-yl)-4-(1,2-dihydrodibenzothiophen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine is C1=CC(c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccc(-c5cccc6oc7ccccc7c56)cc4c3)n2)Cc2c1sc1ccccc21.
What is the InChIKey of 2-(7-dibenzofuran-1-ylnaphthalen-2-yl)-4-(1,2-dihydrodibenzothiophen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine?
The InChIKey is IWWXCKNMNAHYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3OS/c1-2-9-30-24-32(20-17-28(30)8-1)45-48-46(50-47(49-45)34-22-23-43-39(27-34)37-10-4-6-15-42(37)52-43)33-21-18-29-16-19-31(25-35(29)26-33)36-12-7-14-41-44(36)38-11-3-5-13-40(38)51-41/h1-26,34H,27H2.
What are the key properties of 2-(7-dibenzofuran-1-ylnaphthalen-2-yl)-4-(1,2-dihydrodibenzothiophen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine?
2-(7-dibenzofuran-1-ylnaphthalen-2-yl)-4-(1,2-dihydrodibenzothiophen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine has a molecular weight of 683.84 g/mol, XLogP of 12.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-dibenzofuran-1-ylnaphthalen-2-yl)-4-(1,2-dihydrodibenzothiophen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 166741701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).