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

C51H31N3S2 — CID 170200101

IUPAC2-phenyl-4-[6-(4-phenyldibenzothiophen-2-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)sc4c(-c6cc(-c7ccccc7)c7sc8ccccc8c7c6)cccc45)n3)cc2)cc1
InChIInChI=1S/C51H31N3S2/c1-4-13-32(14-5-1)33-23-25-36(26-24-33)50-52-49(35-17-8-3-9-18-35)53-51(54-50)37-27-28-41-42-21-12-20-39(47(42)56-46(41)31-37)38-29-43(34-15-6-2-7-16-34)48-44(30-38)40-19-10-11-22-45(40)55-48/h1-31H
InChIKeyVGMJJTLBFZXXAE-UHFFFAOYSA-N
MW749.96 g/mol
LogP14.61
Rot. Bonds6

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

2-phenyl-4-[6-(4-phenyldibenzothiophen-2-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 170200101) has the molecular formula C51H31N3S2 and a molecular weight of 749.96 g/mol. Its IUPAC name is 2-phenyl-4-[6-(4-phenyldibenzothiophen-2-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-[6-(4-phenyldibenzothiophen-2-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID170200101
Molecular FormulaC51H31N3S2
Molecular Weight749.96 g/mol
Exact Mass749.20
IUPAC Name2-phenyl-4-[6-(4-phenyldibenzothiophen-2-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)sc4c(-c6cc(-c7ccccc7)c7sc8ccccc8c7c6)cccc45)n3)cc2)cc1
InChIInChI=1S/C51H31N3S2/c1-4-13-32(14-5-1)33-23-25-36(26-24-33)50-52-49(35-17-8-3-9-18-35)53-51(54-50)37-27-28-41-42-21-12-20-39(47(42)56-46(41)31-37)38-29-43(34-15-6-2-7-16-34)48-44(30-38)40-19-10-11-22-45(40)55-48/h1-31H
InChIKeyVGMJJTLBFZXXAE-UHFFFAOYSA-N
XLogP14.61
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.96
LogP ≤ 514.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-diphenyl-6-[6-(4-phenyldibenzothiophen-2-yl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 170199172
2-dibenzothiophen-3-yl-4-(2,6-diphenyldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazine
CID 156574591
2-dibenzothiophen-3-yl-4-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850235
2-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176831433
2-[4-(6-dibenzothiophen-4-yldibenzothiophen-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155377434
2-(4-dibenzothiophen-4-ylphenyl)-4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850283
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425260
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425247
2-[4-[4-(6,8-diphenyldibenzothiophen-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164838501
2-[3-(8-dibenzothiophen-4-yldibenzothiophen-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155377191
2,4-diphenyl-6-[7-(4-phenyldibenzothiophen-2-yl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 170199475
2-phenyl-4-[7-(2-phenyldibenzothiophen-4-yl)dibenzothiophen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170200225

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[6-(4-phenyldibenzothiophen-2-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-[6-(4-phenyldibenzothiophen-2-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine (CID 170200101) is 2-phenyl-4-[6-(4-phenyldibenzothiophen-2-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-[6-(4-phenyldibenzothiophen-2-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-[6-(4-phenyldibenzothiophen-2-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)sc4c(-c6cc(-c7ccccc7)c7sc8ccccc8c7c6)cccc45)n3)cc2)cc1.
What is the InChIKey of 2-phenyl-4-[6-(4-phenyldibenzothiophen-2-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is VGMJJTLBFZXXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3S2/c1-4-13-32(14-5-1)33-23-25-36(26-24-33)50-52-49(35-17-8-3-9-18-35)53-51(54-50)37-27-28-41-42-21-12-20-39(47(42)56-46(41)31-37)38-29-43(34-15-6-2-7-16-34)48-44(30-38)40-19-10-11-22-45(40)55-48/h1-31H.
What are the key properties of 2-phenyl-4-[6-(4-phenyldibenzothiophen-2-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
2-phenyl-4-[6-(4-phenyldibenzothiophen-2-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 749.96 g/mol, XLogP of 14.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[6-(4-phenyldibenzothiophen-2-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 170200101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).