2-[3-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,8-dimethyldibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

C56H38N6S — CID 139312034

IUPAC2-[3-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,8-dimethyldibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCc1cc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c2sc3c(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc(C)cc3c2c1
InChIInChI=1S/C56H38N6S/c1-35-29-45(41-25-15-27-43(33-41)55-59-51(37-17-7-3-8-18-37)57-52(60-55)38-19-9-4-10-20-38)49-47(31-35)48-32-36(2)30-46(50(48)63-49)42-26-16-28-44(34-42)56-61-53(39-21-11-5-12-22-39)58-54(62-56)40-23-13-6-14-24-40/h3-34H,1-2H3
InChIKeyXOTLJXAVMDDKAS-UHFFFAOYSA-N
MW827.03 g/mol
LogP14.38
Rot. Bonds8

About 2-[3-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,8-dimethyldibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

2-[3-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,8-dimethyldibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 139312034) has the molecular formula C56H38N6S and a molecular weight of 827.03 g/mol. Its IUPAC name is 2-[3-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,8-dimethyldibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,8-dimethyldibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID139312034
Molecular FormulaC56H38N6S
Molecular Weight827.03 g/mol
Exact Mass826.29
IUPAC Name2-[3-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,8-dimethyldibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCc1cc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c2sc3c(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc(C)cc3c2c1
InChIInChI=1S/C56H38N6S/c1-35-29-45(41-25-15-27-43(33-41)55-59-51(37-17-7-3-8-18-37)57-52(60-55)38-19-9-4-10-20-38)49-47(31-35)48-32-36(2)30-46(50(48)63-49)42-26-16-28-44(34-42)56-61-53(39-21-11-5-12-22-39)58-54(62-56)40-23-13-6-14-24-40/h3-34H,1-2H3
InChIKeyXOTLJXAVMDDKAS-UHFFFAOYSA-N
XLogP14.38
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.03
LogP ≤ 514.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[3-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,8-dimethyldibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2,4-diphenyl-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine
CID 118650954
2-[3-(2,6-diphenyldibenzothiophen-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 156574562
2-[3-(6,8-diphenyldibenzothiophen-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 164838378
2-phenyl-4-(3-phenylphenyl)-6-[3-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine
CID 118650922
2,4-bis(4-phenylphenyl)-6-(2,6,8-triphenyldibenzothiophen-4-yl)-1,3,5-triazine
CID 164838407
2-[2-[2-[6-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10-methylnaphtho[2,1-b][1]benzothiol-8-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139312544
2,4-diphenyl-6-[3-phenyl-5-[6-(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine
CID 118650920
2-(3-dibenzothiophen-4-ylphenyl)-4-[4-(3-methylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170201940
2-(2-fluorophenyl)-4-phenyl-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine
CID 177130492
2,4-diphenyl-6-[3-[3-[6-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-8-yl]phenyl]phenyl]-1,3,5-triazine
CID 134430186
2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 129023213
2-(2,6-dinaphthalen-1-yldibenzothiophen-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 156574588

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,8-dimethyldibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,8-dimethyldibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 139312034) is 2-[3-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,8-dimethyldibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,8-dimethyldibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,8-dimethyldibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is Cc1cc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c2sc3c(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc(C)cc3c2c1.
What is the InChIKey of 2-[3-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,8-dimethyldibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is XOTLJXAVMDDKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N6S/c1-35-29-45(41-25-15-27-43(33-41)55-59-51(37-17-7-3-8-18-37)57-52(60-55)38-19-9-4-10-20-38)49-47(31-35)48-32-36(2)30-46(50(48)63-49)42-26-16-28-44(34-42)56-61-53(39-21-11-5-12-22-39)58-54(62-56)40-23-13-6-14-24-40/h3-34H,1-2H3.
What are the key properties of 2-[3-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,8-dimethyldibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[3-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,8-dimethyldibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 827.03 g/mol, XLogP of 14.38, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,8-dimethyldibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 139312034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).