2-phenyl-4-[7-(1-phenyldibenzofuran-3-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine

C51H31N3OS — CID 170378539

IUPAC2-phenyl-4-[7-(1-phenyldibenzofuran-3-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)sc4cc(-c6cc(-c7ccccc7)c7c(c6)oc6ccccc67)ccc45)n3)cc2)cc1
InChIInChI=1S/C51H31N3OS/c1-4-12-32(13-5-1)33-20-22-36(23-21-33)50-52-49(35-16-8-3-9-17-35)53-51(54-50)38-25-27-41-40-26-24-37(30-46(40)56-47(41)31-38)39-28-43(34-14-6-2-7-15-34)48-42-18-10-11-19-44(42)55-45(48)29-39/h1-31H
InChIKeySBHRHDPIRHFMPU-UHFFFAOYSA-N
MW733.90 g/mol
LogP14.14
Rot. Bonds6

About 2-phenyl-4-[7-(1-phenyldibenzofuran-3-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine

2-phenyl-4-[7-(1-phenyldibenzofuran-3-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 170378539) has the molecular formula C51H31N3OS and a molecular weight of 733.90 g/mol. Its IUPAC name is 2-phenyl-4-[7-(1-phenyldibenzofuran-3-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-[7-(1-phenyldibenzofuran-3-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID170378539
Molecular FormulaC51H31N3OS
Molecular Weight733.90 g/mol
Exact Mass733.22
IUPAC Name2-phenyl-4-[7-(1-phenyldibenzofuran-3-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)sc4cc(-c6cc(-c7ccccc7)c7c(c6)oc6ccccc67)ccc45)n3)cc2)cc1
InChIInChI=1S/C51H31N3OS/c1-4-12-32(13-5-1)33-20-22-36(23-21-33)50-52-49(35-16-8-3-9-17-35)53-51(54-50)38-25-27-41-40-26-24-37(30-46(40)56-47(41)31-38)39-28-43(34-14-6-2-7-15-34)48-42-18-10-11-19-44(42)55-45(48)29-39/h1-31H
InChIKeySBHRHDPIRHFMPU-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)dibenzofuran-3-yl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 170378796
2-phenyl-4-[6-(1-phenyldibenzofuran-3-yl)dibenzothiophen-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170200988
2-dibenzofuran-1-yl-4-phenyl-6-[7-(4-phenylphenyl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 171597375
2-dibenzothiophen-2-yl-4-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 170301810
2-phenyl-4-[7-(1-phenyldibenzothiophen-3-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170378557
2-dibenzofuran-3-yl-4-phenyl-6-[7-(3-phenylphenyl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 171414774
2-dibenzofuran-1-yl-4-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 155328643
2-dibenzofuran-3-yl-4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 174259532
2-phenyl-4-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 162450867
2,4-diphenyl-6-[3-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 148977873
2-phenyl-4,6-bis(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 155380232
2-(3-dibenzofuran-3-yl-5-phenylphenyl)-4-dibenzothiophen-3-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 146640504

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[7-(1-phenyldibenzofuran-3-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-[7-(1-phenyldibenzofuran-3-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine (CID 170378539) is 2-phenyl-4-[7-(1-phenyldibenzofuran-3-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-[7-(1-phenyldibenzofuran-3-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-[7-(1-phenyldibenzofuran-3-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)sc4cc(-c6cc(-c7ccccc7)c7c(c6)oc6ccccc67)ccc45)n3)cc2)cc1.
What is the InChIKey of 2-phenyl-4-[7-(1-phenyldibenzofuran-3-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is SBHRHDPIRHFMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3OS/c1-4-12-32(13-5-1)33-20-22-36(23-21-33)50-52-49(35-16-8-3-9-17-35)53-51(54-50)38-25-27-41-40-26-24-37(30-46(40)56-47(41)31-38)39-28-43(34-14-6-2-7-15-34)48-42-18-10-11-19-44(42)55-45(48)29-39/h1-31H.
What are the key properties of 2-phenyl-4-[7-(1-phenyldibenzofuran-3-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
2-phenyl-4-[7-(1-phenyldibenzofuran-3-yl)dibenzothiophen-3-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-[7-(1-phenyldibenzofuran-3-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 170378539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).