2-phenyl-4-[9-(2-phenyldibenzothiophen-4-yl)dibenzofuran-4-yl]-6-(4-phenylphenyl)-1,3,5-triazine

C51H31N3OS — CID 170199717

IUPAC2-phenyl-4-[9-(2-phenyldibenzothiophen-4-yl)dibenzofuran-4-yl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4oc4cccc(-c6cc(-c7ccccc7)cc7c6sc6ccccc67)c45)n3)cc2)cc1
InChIInChI=1S/C51H31N3OS/c1-4-14-32(15-5-1)34-26-28-36(29-27-34)50-52-49(35-18-8-3-9-19-35)53-51(54-50)41-23-12-22-40-46-39(21-13-24-44(46)55-47(40)41)43-31-37(33-16-6-2-7-17-33)30-42-38-20-10-11-25-45(38)56-48(42)43/h1-31H
InChIKeyYHRVMPIUJGSNEI-UHFFFAOYSA-N
MW733.90 g/mol
LogP14.14
Rot. Bonds6

About 2-phenyl-4-[9-(2-phenyldibenzothiophen-4-yl)dibenzofuran-4-yl]-6-(4-phenylphenyl)-1,3,5-triazine

2-phenyl-4-[9-(2-phenyldibenzothiophen-4-yl)dibenzofuran-4-yl]-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 170199717) has the molecular formula C51H31N3OS and a molecular weight of 733.90 g/mol. Its IUPAC name is 2-phenyl-4-[9-(2-phenyldibenzothiophen-4-yl)dibenzofuran-4-yl]-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-[9-(2-phenyldibenzothiophen-4-yl)dibenzofuran-4-yl]-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID170199717
Molecular FormulaC51H31N3OS
Molecular Weight733.90 g/mol
Exact Mass733.22
IUPAC Name2-phenyl-4-[9-(2-phenyldibenzothiophen-4-yl)dibenzofuran-4-yl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4oc4cccc(-c6cc(-c7ccccc7)cc7c6sc6ccccc67)c45)n3)cc2)cc1
InChIInChI=1S/C51H31N3OS/c1-4-14-32(15-5-1)34-26-28-36(29-27-34)50-52-49(35-18-8-3-9-19-35)53-51(54-50)41-23-12-22-40-46-39(21-13-24-44(46)55-47(40)41)43-31-37(33-16-6-2-7-17-33)30-42-38-20-10-11-25-45(38)56-48(42)43/h1-31H
InChIKeyYHRVMPIUJGSNEI-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

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Related Compounds

2-dibenzothiophen-4-yl-4-(6,8-diphenyldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 153355157
2,4-diphenyl-6-[9-[2-(4-phenylphenyl)dibenzothiophen-4-yl]dibenzofuran-3-yl]-1,3,5-triazine
CID 170201721
2-phenyl-4-[7-(4-phenyldibenzothiophen-2-yl)dibenzofuran-4-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170378458
2,4-diphenyl-6-[9-(4-phenyldibenzothiophen-1-yl)dibenzofuran-4-yl]-1,3,5-triazine
CID 170198434
2-dibenzofuran-1-yl-4-(9-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine
CID 147864491
2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(7-phenyldibenzothiophen-4-yl)-1,3,5-triazine
CID 155096844
2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(3-phenyldibenzothiophen-1-yl)-1,3,5-triazine
CID 176831328
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-dibenzothiophen-4-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 166952877
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[2-(8-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 140946239
2,4-diphenyl-6-[7-(2-phenyldibenzothiophen-4-yl)dibenzofuran-4-yl]-1,3,5-triazine;4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;methane
CID 159859019
2-phenyl-4-(6-phenyldibenzofuran-1-yl)-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazine
CID 155096599

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[9-(2-phenyldibenzothiophen-4-yl)dibenzofuran-4-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-[9-(2-phenyldibenzothiophen-4-yl)dibenzofuran-4-yl]-6-(4-phenylphenyl)-1,3,5-triazine (CID 170199717) is 2-phenyl-4-[9-(2-phenyldibenzothiophen-4-yl)dibenzofuran-4-yl]-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-[9-(2-phenyldibenzothiophen-4-yl)dibenzofuran-4-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-[9-(2-phenyldibenzothiophen-4-yl)dibenzofuran-4-yl]-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4oc4cccc(-c6cc(-c7ccccc7)cc7c6sc6ccccc67)c45)n3)cc2)cc1.
What is the InChIKey of 2-phenyl-4-[9-(2-phenyldibenzothiophen-4-yl)dibenzofuran-4-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is YHRVMPIUJGSNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3OS/c1-4-14-32(15-5-1)34-26-28-36(29-27-34)50-52-49(35-18-8-3-9-19-35)53-51(54-50)41-23-12-22-40-46-39(21-13-24-44(46)55-47(40)41)43-31-37(33-16-6-2-7-17-33)30-42-38-20-10-11-25-45(38)56-48(42)43/h1-31H.
What are the key properties of 2-phenyl-4-[9-(2-phenyldibenzothiophen-4-yl)dibenzofuran-4-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
2-phenyl-4-[9-(2-phenyldibenzothiophen-4-yl)dibenzofuran-4-yl]-6-(4-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-phenyl-4-[9-(2-phenyldibenzothiophen-4-yl)dibenzofuran-4-yl]-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 170199717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).