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

C51H31N3OS — CID 170378742

IUPAC2,4-diphenyl-6-[8-[3-(2-phenylphenyl)dibenzothiophen-1-yl]dibenzofuran-3-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccc(-c5cc(-c6ccccc6-c6ccccc6)cc6sc7ccccc7c56)cc34)n2)cc1
InChIInChI=1S/C51H31N3OS/c1-4-14-32(15-5-1)38-20-10-11-21-39(38)37-29-42(48-41-22-12-13-23-46(41)56-47(48)31-37)35-25-27-44-43(28-35)40-26-24-36(30-45(40)55-44)51-53-49(33-16-6-2-7-17-33)52-50(54-51)34-18-8-3-9-19-34/h1-31H
InChIKeyCGSMPDPGFRMBDI-UHFFFAOYSA-N
MW733.90 g/mol
LogP14.14
Rot. Bonds6

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

2,4-diphenyl-6-[8-[3-(2-phenylphenyl)dibenzothiophen-1-yl]dibenzofuran-3-yl]-1,3,5-triazine (PubChem CID 170378742) has the molecular formula C51H31N3OS and a molecular weight of 733.90 g/mol. Its IUPAC name is 2,4-diphenyl-6-[8-[3-(2-phenylphenyl)dibenzothiophen-1-yl]dibenzofuran-3-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[8-[3-(2-phenylphenyl)dibenzothiophen-1-yl]dibenzofuran-3-yl]-1,3,5-triazine
PubChem CID170378742
Molecular FormulaC51H31N3OS
Molecular Weight733.90 g/mol
Exact Mass733.22
IUPAC Name2,4-diphenyl-6-[8-[3-(2-phenylphenyl)dibenzothiophen-1-yl]dibenzofuran-3-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccc(-c5cc(-c6ccccc6-c6ccccc6)cc6sc7ccccc7c56)cc34)n2)cc1
InChIInChI=1S/C51H31N3OS/c1-4-14-32(15-5-1)38-20-10-11-21-39(38)37-29-42(48-41-22-12-13-23-46(41)56-47(48)31-37)35-25-27-44-43(28-35)40-26-24-36(30-45(40)55-44)51-53-49(33-16-6-2-7-17-33)52-50(54-51)34-18-8-3-9-19-34/h1-31H
InChIKeyCGSMPDPGFRMBDI-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 2,4-diphenyl-6-[8-[3-(2-phenylphenyl)dibenzothiophen-1-yl]dibenzofuran-3-yl]-1,3,5-triazine with MolForge

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Related Compounds

2-phenyl-4-[8-(3-phenyldibenzothiophen-1-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170378609
2,4-diphenyl-6-[7-(3-phenyldibenzothiophen-1-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170198656
2-[8-(2-dibenzothiophen-2-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170191928
2-dibenzofuran-3-yl-4-phenyl-6-[9-(1-phenyldibenzothiophen-3-yl)dibenzofuran-4-yl]-1,3,5-triazine
CID 170378841
2,4-diphenyl-6-[7-[1-(3-phenylphenyl)dibenzothiophen-3-yl]dibenzofuran-3-yl]-1,3,5-triazine
CID 170378738
2-phenyl-4-[6-(1-phenyldibenzothiophen-3-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170200466
2-dibenzofuran-3-yl-4-[8-(2-dibenzothiophen-2-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine
CID 170192686
2-[8-(2-dibenzofuran-3-ylphenyl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170192055
2,4-diphenyl-6-[7-(1-phenyldibenzothiophen-3-yl)dibenzofuran-4-yl]-1,3,5-triazine
CID 170204172
2-naphtho[2,1-b][1]benzofuran-10-yl-4-phenyl-6-(1-phenyldibenzothiophen-3-yl)-1,3,5-triazine
CID 174328708
2-dibenzofuran-2-yl-4-(3-dibenzothiophen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 170363880
2,4-diphenyl-6-[9-(1-phenyldibenzothiophen-3-yl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 170199264

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[8-[3-(2-phenylphenyl)dibenzothiophen-1-yl]dibenzofuran-3-yl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[8-[3-(2-phenylphenyl)dibenzothiophen-1-yl]dibenzofuran-3-yl]-1,3,5-triazine (CID 170378742) is 2,4-diphenyl-6-[8-[3-(2-phenylphenyl)dibenzothiophen-1-yl]dibenzofuran-3-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[8-[3-(2-phenylphenyl)dibenzothiophen-1-yl]dibenzofuran-3-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[8-[3-(2-phenylphenyl)dibenzothiophen-1-yl]dibenzofuran-3-yl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccc(-c5cc(-c6ccccc6-c6ccccc6)cc6sc7ccccc7c56)cc34)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[8-[3-(2-phenylphenyl)dibenzothiophen-1-yl]dibenzofuran-3-yl]-1,3,5-triazine?
The InChIKey is CGSMPDPGFRMBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3OS/c1-4-14-32(15-5-1)38-20-10-11-21-39(38)37-29-42(48-41-22-12-13-23-46(41)56-47(48)31-37)35-25-27-44-43(28-35)40-26-24-36(30-45(40)55-44)51-53-49(33-16-6-2-7-17-33)52-50(54-51)34-18-8-3-9-19-34/h1-31H.
What are the key properties of 2,4-diphenyl-6-[8-[3-(2-phenylphenyl)dibenzothiophen-1-yl]dibenzofuran-3-yl]-1,3,5-triazine?
2,4-diphenyl-6-[8-[3-(2-phenylphenyl)dibenzothiophen-1-yl]dibenzofuran-3-yl]-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 2,4-diphenyl-6-[8-[3-(2-phenylphenyl)dibenzothiophen-1-yl]dibenzofuran-3-yl]-1,3,5-triazine is sourced from PubChem (CID 170378742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).