2-phenyl-4-[8-(3-phenyldibenzothiophen-1-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine

C51H31N3OS — CID 170378609

IUPAC2-phenyl-4-[8-(3-phenyldibenzothiophen-1-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4ccc(-c6cc(-c7ccccc7)cc7sc8ccccc8c67)cc45)n3)c2)cc1
InChIInChI=1S/C51H31N3OS/c1-4-13-32(14-5-1)35-19-12-20-37(27-35)50-52-49(34-17-8-3-9-18-34)53-51(54-50)38-23-25-40-43-28-36(24-26-44(43)55-45(40)30-38)42-29-39(33-15-6-2-7-16-33)31-47-48(42)41-21-10-11-22-46(41)56-47/h1-31H
InChIKeyAXHPEQIHCSQEDO-UHFFFAOYSA-N
MW733.90 g/mol
LogP14.14
Rot. Bonds6

About 2-phenyl-4-[8-(3-phenyldibenzothiophen-1-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine

2-phenyl-4-[8-(3-phenyldibenzothiophen-1-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 170378609) has the molecular formula C51H31N3OS and a molecular weight of 733.90 g/mol. Its IUPAC name is 2-phenyl-4-[8-(3-phenyldibenzothiophen-1-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-[8-(3-phenyldibenzothiophen-1-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID170378609
Molecular FormulaC51H31N3OS
Molecular Weight733.90 g/mol
Exact Mass733.22
IUPAC Name2-phenyl-4-[8-(3-phenyldibenzothiophen-1-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4ccc(-c6cc(-c7ccccc7)cc7sc8ccccc8c67)cc45)n3)c2)cc1
InChIInChI=1S/C51H31N3OS/c1-4-13-32(14-5-1)35-19-12-20-37(27-35)50-52-49(34-17-8-3-9-18-34)53-51(54-50)38-23-25-40-43-28-36(24-26-44(43)55-45(40)30-38)42-29-39(33-15-6-2-7-16-33)31-47-48(42)41-21-10-11-22-46(41)56-47/h1-31H
InChIKeyAXHPEQIHCSQEDO-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

2,4-diphenyl-6-[7-[1-(3-phenylphenyl)dibenzothiophen-3-yl]dibenzofuran-3-yl]-1,3,5-triazine
CID 170378738
2,4-diphenyl-6-[7-(3-phenyldibenzothiophen-1-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170198656
2,4-diphenyl-6-[8-[3-(2-phenylphenyl)dibenzothiophen-1-yl]dibenzofuran-3-yl]-1,3,5-triazine
CID 170378742
2-[8-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 171597450
2-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 166009417
2-phenyl-4-[6-(1-phenyldibenzothiophen-3-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170200466
2-(3-dibenzofuran-3-yl-5-dibenzothiophen-1-ylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 163547459
2-(4-dibenzofuran-3-ylphenyl)-4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850276
2-dibenzothiophen-2-yl-4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 171597424
2,4-diphenyl-6-[7-(1-phenyldibenzothiophen-3-yl)dibenzofuran-4-yl]-1,3,5-triazine
CID 170204172
2,4-diphenyl-6-[7-[1-(3-phenylphenyl)dibenzofuran-3-yl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 170378796
2,4-diphenyl-6-[9-(3-phenyldibenzothiophen-1-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170198709

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[8-(3-phenyldibenzothiophen-1-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-[8-(3-phenyldibenzothiophen-1-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine (CID 170378609) is 2-phenyl-4-[8-(3-phenyldibenzothiophen-1-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-[8-(3-phenyldibenzothiophen-1-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-[8-(3-phenyldibenzothiophen-1-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4ccc(-c6cc(-c7ccccc7)cc7sc8ccccc8c67)cc45)n3)c2)cc1.
What is the InChIKey of 2-phenyl-4-[8-(3-phenyldibenzothiophen-1-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is AXHPEQIHCSQEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3OS/c1-4-13-32(14-5-1)35-19-12-20-37(27-35)50-52-49(34-17-8-3-9-18-34)53-51(54-50)38-23-25-40-43-28-36(24-26-44(43)55-45(40)30-38)42-29-39(33-15-6-2-7-16-33)31-47-48(42)41-21-10-11-22-46(41)56-47/h1-31H.
What are the key properties of 2-phenyl-4-[8-(3-phenyldibenzothiophen-1-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine?
2-phenyl-4-[8-(3-phenyldibenzothiophen-1-yl)dibenzofuran-3-yl]-6-(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-phenyl-4-[8-(3-phenyldibenzothiophen-1-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 170378609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).