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

C51H31N3OS — CID 168850202

IUPAC2-dibenzofuran-3-yl-4-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc6c5sc5ccc(-c7ccccc7)cc56)cc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C51H31N3OS/c1-3-10-32(11-4-1)34-18-22-36(23-19-34)49-52-50(54-51(53-49)39-26-28-42-41-14-7-8-17-45(41)55-46(42)31-39)37-24-20-35(21-25-37)40-15-9-16-43-44-30-38(33-12-5-2-6-13-33)27-29-47(44)56-48(40)43/h1-31H
InChIKeyDZFXGNSUMGMJMQ-UHFFFAOYSA-N
MW733.90 g/mol
LogP14.14
Rot. Bonds6

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

2-dibenzofuran-3-yl-4-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 168850202) has the molecular formula C51H31N3OS and a molecular weight of 733.90 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID168850202
Molecular FormulaC51H31N3OS
Molecular Weight733.90 g/mol
Exact Mass733.22
IUPAC Name2-dibenzofuran-3-yl-4-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc6c5sc5ccc(-c7ccccc7)cc56)cc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C51H31N3OS/c1-3-10-32(11-4-1)34-18-22-36(23-19-34)49-52-50(54-51(53-49)39-26-28-42-41-14-7-8-17-45(41)55-46(42)31-39)37-24-20-35(21-25-37)40-15-9-16-43-44-30-38(33-12-5-2-6-13-33)27-29-47(44)56-48(40)43/h1-31H
InChIKeyDZFXGNSUMGMJMQ-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-dibenzofuran-3-yl-4-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-(6-phenyldibenzofuran-3-yl)-4-(6-phenyldibenzothiophen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 138519471
2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 139404336
2-dibenzofuran-3-yl-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 154626584
2-dibenzofuran-3-yl-4-(4-dibenzothiophen-1-ylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-2-ylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-3-ylphenyl)-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-3-ylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylphenyl)-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 159819778
2-(3-dibenzofuran-3-ylphenyl)-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171445744
2-dibenzofuran-3-yl-4-dibenzothiophen-4-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 170151778
2-dibenzofuran-1-yl-4-[4-[3-[6-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-6-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine
CID 155329850
2-(8-dibenzofuran-3-yldibenzofuran-3-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
CID 162780089
2-dibenzofuran-4-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine
CID 170362985
2-(3-dibenzofuran-3-ylphenyl)-4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 163842372
2-[4-[6-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-1,3-benzothiazole
CID 155356603
2-dibenzothiophen-4-yl-4-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 164723669

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-4-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine (CID 168850202) is 2-dibenzofuran-3-yl-4-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-4-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc6c5sc5ccc(-c7ccccc7)cc56)cc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)cc2)cc1.
What is the InChIKey of 2-dibenzofuran-3-yl-4-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is DZFXGNSUMGMJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3OS/c1-3-10-32(11-4-1)34-18-22-36(23-19-34)49-52-50(54-51(53-49)39-26-28-42-41-14-7-8-17-45(41)55-46(42)31-39)37-24-20-35(21-25-37)40-15-9-16-43-44-30-38(33-12-5-2-6-13-33)27-29-47(44)56-48(40)43/h1-31H.
What are the key properties of 2-dibenzofuran-3-yl-4-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine?
2-dibenzofuran-3-yl-4-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-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-dibenzofuran-3-yl-4-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 168850202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).