2,4-bis(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine

C45H27N3S2 — CID 163871396

IUPAC2,4-bis(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc5sc6ccccc6c5c4)c3)nc(-c3cccc(-c4ccc5sc6ccccc6c5c4)c3)n2)cc1
InChIInChI=1S/C45H27N3S2/c1-2-10-28(11-3-1)43-46-44(33-14-8-12-29(24-33)31-20-22-41-37(26-31)35-16-4-6-18-39(35)49-41)48-45(47-43)34-15-9-13-30(25-34)32-21-23-42-38(27-32)36-17-5-7-19-40(36)50-42/h1-27H
InChIKeyPLCVZPGMNQMRKA-UHFFFAOYSA-N
MW673.87 g/mol
LogP12.94
Rot. Bonds5

About 2,4-bis(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine

2,4-bis(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine (PubChem CID 163871396) has the molecular formula C45H27N3S2 and a molecular weight of 673.87 g/mol. Its IUPAC name is 2,4-bis(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine
PubChem CID163871396
Molecular FormulaC45H27N3S2
Molecular Weight673.87 g/mol
Exact Mass673.16
IUPAC Name2,4-bis(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc5sc6ccccc6c5c4)c3)nc(-c3cccc(-c4ccc5sc6ccccc6c5c4)c3)n2)cc1
InChIInChI=1S/C45H27N3S2/c1-2-10-28(11-3-1)43-46-44(33-14-8-12-29(24-33)31-20-22-41-37(26-31)35-16-4-6-18-39(35)49-41)48-45(47-43)34-15-9-13-30(25-34)32-21-23-42-38(27-32)36-17-5-7-19-40(36)50-42/h1-27H
InChIKeyPLCVZPGMNQMRKA-UHFFFAOYSA-N
XLogP12.94
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.87
LogP ≤ 512.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 161440420
2-(3-dibenzothiophen-2-yl-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 118650929
2-(7-dibenzothiophen-2-yldibenzothiophen-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155377206
2,4-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3,5-triazine
CID 155049982
2-dibenzothiophen-2-yl-4-phenyl-6-(7-phenyldibenzothiophen-3-yl)-1,3,5-triazine
CID 171597129
2-dibenzothiophen-2-yl-4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine
CID 155050112
2-dibenzothiophen-3-yl-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 138654698
2-[3-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 122679618
2-dibenzothiophen-2-yl-4-phenyl-6-[4-[8-(3-phenylphenyl)dibenzothiophen-1-yl]phenyl]-1,3,5-triazine
CID 140946842
2-(4-dibenzothiophen-3-ylphenyl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850210
2-chloro-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 135379549
2,4-diphenyl-6-[8-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 166952615

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2,4-bis(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine (CID 163871396) is 2,4-bis(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2,4-bis(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3cccc(-c4ccc5sc6ccccc6c5c4)c3)nc(-c3cccc(-c4ccc5sc6ccccc6c5c4)c3)n2)cc1.
What is the InChIKey of 2,4-bis(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine?
The InChIKey is PLCVZPGMNQMRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3S2/c1-2-10-28(11-3-1)43-46-44(33-14-8-12-29(24-33)31-20-22-41-37(26-31)35-16-4-6-18-39(35)49-41)48-45(47-43)34-15-9-13-30(25-34)32-21-23-42-38(27-32)36-17-5-7-19-40(36)50-42/h1-27H.
What are the key properties of 2,4-bis(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine?
2,4-bis(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine has a molecular weight of 673.87 g/mol, XLogP of 12.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 163871396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).