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

C49H29N3OS — CID 176853685

IUPAC2-dibenzothiophen-4-yl-4-phenyl-6-[3-(2-phenylnaphtho[1,2-b][1]benzofuran-6-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc3cc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6cccc7c6sc6ccccc67)n5)c4)c4c5ccccc5oc4c3c2)cc1
InChIInChI=1S/C49H29N3OS/c1-3-13-30(14-4-1)32-25-26-34-29-40(44-38-20-7-9-23-42(38)53-45(44)41(34)28-32)33-17-11-18-35(27-33)48-50-47(31-15-5-2-6-16-31)51-49(52-48)39-22-12-21-37-36-19-8-10-24-43(36)54-46(37)39/h1-29H
InChIKeyYJNIIRYIEJGSIS-UHFFFAOYSA-N
MW707.86 g/mol
LogP13.63
Rot. Bonds5

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

2-dibenzothiophen-4-yl-4-phenyl-6-[3-(2-phenylnaphtho[1,2-b][1]benzofuran-6-yl)phenyl]-1,3,5-triazine (PubChem CID 176853685) has the molecular formula C49H29N3OS and a molecular weight of 707.86 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-4-phenyl-6-[3-(2-phenylnaphtho[1,2-b][1]benzofuran-6-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-4-phenyl-6-[3-(2-phenylnaphtho[1,2-b][1]benzofuran-6-yl)phenyl]-1,3,5-triazine
PubChem CID176853685
Molecular FormulaC49H29N3OS
Molecular Weight707.86 g/mol
Exact Mass707.20
IUPAC Name2-dibenzothiophen-4-yl-4-phenyl-6-[3-(2-phenylnaphtho[1,2-b][1]benzofuran-6-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc3cc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6cccc7c6sc6ccccc67)n5)c4)c4c5ccccc5oc4c3c2)cc1
InChIInChI=1S/C49H29N3OS/c1-3-13-30(14-4-1)32-25-26-34-29-40(44-38-20-7-9-23-42(38)53-45(44)41(34)28-32)33-17-11-18-35(27-33)48-50-47(31-15-5-2-6-16-31)51-49(52-48)39-22-12-21-37-36-19-8-10-24-43(36)54-46(37)39/h1-29H
InChIKeyYJNIIRYIEJGSIS-UHFFFAOYSA-N
XLogP13.63
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.86
LogP ≤ 513.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 155078930
2-(3-dibenzofuran-4-ylphenyl)-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171445309
2,4-diphenyl-6-[7-[1-(3-phenylphenyl)dibenzofuran-4-yl]dibenzothiophen-4-yl]-1,3,5-triazine
CID 170201845
2-dibenzothiophen-4-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 166952521
2-(3-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4,6-diphenyl-1,3,5-triazine
CID 144953430
2-dibenzofuran-3-yl-4-dibenzothiophen-4-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 170151778
2-(3-dibenzofuran-3-ylphenyl)-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171445744
2-(9-dibenzothiophen-4-ylnaphtho[1,2-b][1]benzofuran-6-yl)-4,6-diphenyl-1,3,5-triazine
CID 177130748
2-dibenzothiophen-4-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 166952877
2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 170301891
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-(8-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-6-[3-phenyl-5-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine
CID 161063143
2-(3-dibenzofuran-3-ylphenyl)-4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 163842372

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-4-phenyl-6-[3-(2-phenylnaphtho[1,2-b][1]benzofuran-6-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-4-yl-4-phenyl-6-[3-(2-phenylnaphtho[1,2-b][1]benzofuran-6-yl)phenyl]-1,3,5-triazine (CID 176853685) is 2-dibenzothiophen-4-yl-4-phenyl-6-[3-(2-phenylnaphtho[1,2-b][1]benzofuran-6-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-4-yl-4-phenyl-6-[3-(2-phenylnaphtho[1,2-b][1]benzofuran-6-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-4-yl-4-phenyl-6-[3-(2-phenylnaphtho[1,2-b][1]benzofuran-6-yl)phenyl]-1,3,5-triazine is c1ccc(-c2ccc3cc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6cccc7c6sc6ccccc67)n5)c4)c4c5ccccc5oc4c3c2)cc1.
What is the InChIKey of 2-dibenzothiophen-4-yl-4-phenyl-6-[3-(2-phenylnaphtho[1,2-b][1]benzofuran-6-yl)phenyl]-1,3,5-triazine?
The InChIKey is YJNIIRYIEJGSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3OS/c1-3-13-30(14-4-1)32-25-26-34-29-40(44-38-20-7-9-23-42(38)53-45(44)41(34)28-32)33-17-11-18-35(27-33)48-50-47(31-15-5-2-6-16-31)51-49(52-48)39-22-12-21-37-36-19-8-10-24-43(36)54-46(37)39/h1-29H.
What are the key properties of 2-dibenzothiophen-4-yl-4-phenyl-6-[3-(2-phenylnaphtho[1,2-b][1]benzofuran-6-yl)phenyl]-1,3,5-triazine?
2-dibenzothiophen-4-yl-4-phenyl-6-[3-(2-phenylnaphtho[1,2-b][1]benzofuran-6-yl)phenyl]-1,3,5-triazine has a molecular weight of 707.86 g/mol, XLogP of 13.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-4-phenyl-6-[3-(2-phenylnaphtho[1,2-b][1]benzofuran-6-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 176853685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).