2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine

C51H31N3OS — CID 155078013

IUPAC2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc(-c5ccc6c(c5)sc5ccccc56)c5c4oc4ccccc45)n3)c2)cc1
InChIInChI=1S/C51H31N3OS/c1-3-13-32(14-4-1)34-17-11-19-37(29-34)49-52-50(38-20-12-18-35(30-38)33-15-5-2-6-16-33)54-51(53-49)43-28-27-39(47-42-22-7-9-23-44(42)55-48(43)47)36-25-26-41-40-21-8-10-24-45(40)56-46(41)31-36/h1-31H
InChIKeyJROMRPDZVMETKD-UHFFFAOYSA-N
MW733.90 g/mol
LogP14.14
Rot. Bonds6

About 2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine

2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine (PubChem CID 155078013) has the molecular formula C51H31N3OS and a molecular weight of 733.90 g/mol. Its IUPAC name is 2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
PubChem CID155078013
Molecular FormulaC51H31N3OS
Molecular Weight733.90 g/mol
Exact Mass733.22
IUPAC Name2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc(-c5ccc6c(c5)sc5ccccc56)c5c4oc4ccccc45)n3)c2)cc1
InChIInChI=1S/C51H31N3OS/c1-3-13-32(14-4-1)34-17-11-19-37(29-34)49-52-50(38-20-12-18-35(30-38)33-15-5-2-6-16-33)54-51(53-49)43-28-27-39(47-42-22-7-9-23-44(42)55-48(43)47)36-25-26-41-40-21-8-10-24-45(40)56-46(41)31-36/h1-31H
InChIKeyJROMRPDZVMETKD-UHFFFAOYSA-N
XLogP14.14
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.90
LogP ≤ 514.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzofuran-3-yl-4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 155079372
2-dibenzothiophen-2-yl-4-(1-phenyldibenzofuran-4-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176831417
2-[4-(4-dibenzothiophen-3-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 160600611
2,4-di(dibenzothiophen-3-yl)-6-[8-(4-dibenzothiophen-3-yldibenzofuran-1-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 165166709
2-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155079040
2-dibenzothiophen-3-yl-4-[3-(9-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850189
2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155078795
2,4-diphenyl-6-[7-[1-(3-phenylphenyl)dibenzofuran-4-yl]dibenzothiophen-4-yl]-1,3,5-triazine
CID 170201845
2-(1-dibenzofuran-3-yldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 155079176
2,4-diphenyl-6-[9-(1-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 170199156
2-[4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 155078930
2-(7-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 155477532

Frequently Asked Questions

What is the IUPAC name of 2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine (CID 155078013) is 2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc(-c5ccc6c(c5)sc5ccccc56)c5c4oc4ccccc45)n3)c2)cc1.
What is the InChIKey of 2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is JROMRPDZVMETKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3OS/c1-3-13-32(14-4-1)34-17-11-19-37(29-34)49-52-50(38-20-12-18-35(30-38)33-15-5-2-6-16-33)54-51(53-49)43-28-27-39(47-42-22-7-9-23-44(42)55-48(43)47)36-25-26-41-40-21-8-10-24-45(40)56-46(41)31-36/h1-31H.
What are the key properties of 2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine?
2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 733.90 g/mol, XLogP of 14.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 155078013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).