2-dibenzothiophen-3-yl-4-(9-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-6-phenyl-1,3,5-triazine

C47H27N3OS — CID 171757097

IUPAC2-dibenzothiophen-3-yl-4-(9-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3cc4c5ccc(-c6ccc7ccccc7c6)cc5oc4c4ccccc34)n2)cc1
InChIInChI=1S/C47H27N3OS/c1-2-11-29(12-3-1)45-48-46(33-21-23-37-36-15-8-9-17-42(36)52-43(37)26-33)50-47(49-45)40-27-39-35-22-20-32(31-19-18-28-10-4-5-13-30(28)24-31)25-41(35)51-44(39)38-16-7-6-14-34(38)40/h1-27H
InChIKeyXOCUMCGPWXILIX-UHFFFAOYSA-N
MW681.82 g/mol
LogP13.11
Rot. Bonds4

About 2-dibenzothiophen-3-yl-4-(9-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-6-phenyl-1,3,5-triazine

2-dibenzothiophen-3-yl-4-(9-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-6-phenyl-1,3,5-triazine (PubChem CID 171757097) has the molecular formula C47H27N3OS and a molecular weight of 681.82 g/mol. Its IUPAC name is 2-dibenzothiophen-3-yl-4-(9-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-3-yl-4-(9-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-6-phenyl-1,3,5-triazine
PubChem CID171757097
Molecular FormulaC47H27N3OS
Molecular Weight681.82 g/mol
Exact Mass681.19
IUPAC Name2-dibenzothiophen-3-yl-4-(9-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3cc4c5ccc(-c6ccc7ccccc7c6)cc5oc4c4ccccc34)n2)cc1
InChIInChI=1S/C47H27N3OS/c1-2-11-29(12-3-1)45-48-46(33-21-23-37-36-15-8-9-17-42(36)52-43(37)26-33)50-47(49-45)40-27-39-35-22-20-32(31-19-18-28-10-4-5-13-30(28)24-31)25-41(35)51-44(39)38-16-7-6-14-34(38)40/h1-27H
InChIKeyXOCUMCGPWXILIX-UHFFFAOYSA-N
XLogP13.11
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.82
LogP ≤ 513.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 167143642
2-dibenzothiophen-3-yl-4-naphthalen-2-yl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 176817755
2-dibenzofuran-3-yl-4-dibenzothiophen-3-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 154934275
2-(7-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 155477532
2-dibenzofuran-3-yl-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-2-yl-1,3,5-triazine;2-dibenzofuran-3-yl-4-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine;2-[3-[3-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 161083758
2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176765189
2-dibenzothiophen-3-yl-4-(7-phenyldibenzofuran-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 155380197
2,4-diphenyl-6-[9-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine
CID 167143892
2-dibenzothiophen-3-yl-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 156673310
2-(3-dibenzofuran-4-yl-5-dibenzothiophen-3-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 163806979
2-naphthalen-2-yl-4-(9-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-5-yl)-6-phenyl-1,3,5-triazine
CID 171757171
2-(4-dibenzofuran-3-ylphenyl)-4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850276

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-3-yl-4-(9-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-3-yl-4-(9-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-6-phenyl-1,3,5-triazine (CID 171757097) is 2-dibenzothiophen-3-yl-4-(9-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-3-yl-4-(9-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-3-yl-4-(9-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3cc4c5ccc(-c6ccc7ccccc7c6)cc5oc4c4ccccc34)n2)cc1.
What is the InChIKey of 2-dibenzothiophen-3-yl-4-(9-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is XOCUMCGPWXILIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H27N3OS/c1-2-11-29(12-3-1)45-48-46(33-21-23-37-36-15-8-9-17-42(36)52-43(37)26-33)50-47(49-45)40-27-39-35-22-20-32(31-19-18-28-10-4-5-13-30(28)24-31)25-41(35)51-44(39)38-16-7-6-14-34(38)40/h1-27H.
What are the key properties of 2-dibenzothiophen-3-yl-4-(9-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-6-phenyl-1,3,5-triazine?
2-dibenzothiophen-3-yl-4-(9-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 681.82 g/mol, XLogP of 13.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-3-yl-4-(9-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 171757097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).