2-phenyl-4-(9-phenyldibenzothiophen-4-yl)-6-[7-(3-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine

C51H31N3OS — CID 155096846

IUPAC2-phenyl-4-(9-phenyldibenzothiophen-4-yl)-6-[7-(3-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3ccc4c(c3)oc3c(-c5nc(-c6ccccc6)nc(-c6cccc7c6sc6cccc(-c8ccccc8)c67)n5)cccc34)c2)cc1
InChIInChI=1S/C51H31N3OS/c1-4-14-32(15-5-1)35-20-10-21-36(30-35)37-28-29-39-40-23-11-25-42(47(40)55-44(39)31-37)50-52-49(34-18-8-3-9-19-34)53-51(54-50)43-26-12-24-41-46-38(33-16-6-2-7-17-33)22-13-27-45(46)56-48(41)43/h1-31H
InChIKeySXZSEICBHSHCTG-UHFFFAOYSA-N
MW733.90 g/mol
LogP14.14
Rot. Bonds6

About 2-phenyl-4-(9-phenyldibenzothiophen-4-yl)-6-[7-(3-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine

2-phenyl-4-(9-phenyldibenzothiophen-4-yl)-6-[7-(3-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine (PubChem CID 155096846) has the molecular formula C51H31N3OS and a molecular weight of 733.90 g/mol. Its IUPAC name is 2-phenyl-4-(9-phenyldibenzothiophen-4-yl)-6-[7-(3-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-(9-phenyldibenzothiophen-4-yl)-6-[7-(3-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
PubChem CID155096846
Molecular FormulaC51H31N3OS
Molecular Weight733.90 g/mol
Exact Mass733.22
IUPAC Name2-phenyl-4-(9-phenyldibenzothiophen-4-yl)-6-[7-(3-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3ccc4c(c3)oc3c(-c5nc(-c6ccccc6)nc(-c6cccc7c6sc6cccc(-c8ccccc8)c67)n5)cccc34)c2)cc1
InChIInChI=1S/C51H31N3OS/c1-4-14-32(15-5-1)35-20-10-21-36(30-35)37-28-29-39-40-23-11-25-42(47(40)55-44(39)31-37)50-52-49(34-18-8-3-9-19-34)53-51(54-50)43-26-12-24-41-46-38(33-16-6-2-7-17-33)22-13-27-45(46)56-48(41)43/h1-31H
InChIKeySXZSEICBHSHCTG-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-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]-1,3,5-triazine
CID 166953095
2-phenyl-4-[7-(4-phenyldibenzothiophen-2-yl)dibenzofuran-4-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170378458
2,4-diphenyl-6-[7-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 137496589
2-phenyl-4-(7-phenyldibenzofuran-3-yl)-6-(7-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 155477108
2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(7-phenyldibenzothiophen-4-yl)-1,3,5-triazine
CID 155096844
2-dibenzofuran-3-yl-4-dibenzothiophen-4-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 170151778
2-(3-dibenzofuran-3-ylphenyl)-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171445744
4-phenyl-2-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 154978377
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-(7-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 155477532
9-[6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-1-yl]carbazole
CID 169011176

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(9-phenyldibenzothiophen-4-yl)-6-[7-(3-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-(9-phenyldibenzothiophen-4-yl)-6-[7-(3-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine (CID 155096846) is 2-phenyl-4-(9-phenyldibenzothiophen-4-yl)-6-[7-(3-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-(9-phenyldibenzothiophen-4-yl)-6-[7-(3-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-(9-phenyldibenzothiophen-4-yl)-6-[7-(3-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine is c1ccc(-c2cccc(-c3ccc4c(c3)oc3c(-c5nc(-c6ccccc6)nc(-c6cccc7c6sc6cccc(-c8ccccc8)c67)n5)cccc34)c2)cc1.
What is the InChIKey of 2-phenyl-4-(9-phenyldibenzothiophen-4-yl)-6-[7-(3-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine?
The InChIKey is SXZSEICBHSHCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3OS/c1-4-14-32(15-5-1)35-20-10-21-36(30-35)37-28-29-39-40-23-11-25-42(47(40)55-44(39)31-37)50-52-49(34-18-8-3-9-19-34)53-51(54-50)43-26-12-24-41-46-38(33-16-6-2-7-17-33)22-13-27-45(46)56-48(41)43/h1-31H.
What are the key properties of 2-phenyl-4-(9-phenyldibenzothiophen-4-yl)-6-[7-(3-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine?
2-phenyl-4-(9-phenyldibenzothiophen-4-yl)-6-[7-(3-phenylphenyl)dibenzofuran-4-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-phenyl-4-(9-phenyldibenzothiophen-4-yl)-6-[7-(3-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine is sourced from PubChem (CID 155096846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).