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

C45H27N3S2 — CID 139305041

IUPAC2-dibenzothiophen-1-yl-4-dibenzothiophen-3-yl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3ccccc3-c3nc(-c4ccc5c(c4)sc4ccccc45)nc(-c4cccc5sc6ccccc6c45)n3)c2)cc1
InChIInChI=1S/C45H27N3S2/c1-2-12-28(13-3-1)29-14-10-15-30(26-29)32-16-4-5-18-35(32)44-46-43(31-24-25-34-33-17-6-8-21-38(33)50-41(34)27-31)47-45(48-44)37-20-11-23-40-42(37)36-19-7-9-22-39(36)49-40/h1-27H
InChIKeyQLIKYVXPDDMZSH-UHFFFAOYSA-N
MW673.87 g/mol
LogP12.94
Rot. Bonds5

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

2-dibenzothiophen-1-yl-4-dibenzothiophen-3-yl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 139305041) has the molecular formula C45H27N3S2 and a molecular weight of 673.87 g/mol. Its IUPAC name is 2-dibenzothiophen-1-yl-4-dibenzothiophen-3-yl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-1-yl-4-dibenzothiophen-3-yl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazine
PubChem CID139305041
Molecular FormulaC45H27N3S2
Molecular Weight673.87 g/mol
Exact Mass673.16
IUPAC Name2-dibenzothiophen-1-yl-4-dibenzothiophen-3-yl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3ccccc3-c3nc(-c4ccc5c(c4)sc4ccccc45)nc(-c4cccc5sc6ccccc6c45)n3)c2)cc1
InChIInChI=1S/C45H27N3S2/c1-2-12-28(13-3-1)29-14-10-15-30(26-29)32-16-4-5-18-35(32)44-46-43(31-24-25-34-33-17-6-8-21-38(33)50-41(34)27-31)47-45(48-44)37-20-11-23-40-42(37)36-19-7-9-22-39(36)49-40/h1-27H
InChIKeyQLIKYVXPDDMZSH-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-dibenzothiophen-3-ylphenyl)-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942654
2-(3-dibenzothiophen-3-ylphenyl)-4-phenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134199446
2-[4-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942425
2-(9-dibenzothiophen-1-yldibenzothiophen-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155377527
2-(3-dibenzothiophen-1-ylphenyl)-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942551
2-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942605
2,4-di(dibenzothiophen-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 139304948
2,4-diphenyl-6-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 155050162
2-(3-dibenzothiophen-1-ylphenyl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-2-ylphenyl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-3-ylphenyl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 167660422
2-(3-dibenzothiophen-1-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-2-ylphenyl)-4-(4-dibenzothiophen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-3-ylphenyl)-4-(4-dibenzothiophen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-(4-dibenzothiophen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 161029861
2-(3-dibenzothiophen-1-ylphenyl)-4-(4-dibenzothiophen-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 169291118
2,4-bis(3-dibenzothiophen-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 139304118

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-1-yl-4-dibenzothiophen-3-yl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-1-yl-4-dibenzothiophen-3-yl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazine (CID 139305041) is 2-dibenzothiophen-1-yl-4-dibenzothiophen-3-yl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-1-yl-4-dibenzothiophen-3-yl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-1-yl-4-dibenzothiophen-3-yl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazine is c1ccc(-c2cccc(-c3ccccc3-c3nc(-c4ccc5c(c4)sc4ccccc45)nc(-c4cccc5sc6ccccc6c45)n3)c2)cc1.
What is the InChIKey of 2-dibenzothiophen-1-yl-4-dibenzothiophen-3-yl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is QLIKYVXPDDMZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3S2/c1-2-12-28(13-3-1)29-14-10-15-30(26-29)32-16-4-5-18-35(32)44-46-43(31-24-25-34-33-17-6-8-21-38(33)50-41(34)27-31)47-45(48-44)37-20-11-23-40-42(37)36-19-7-9-22-39(36)49-40/h1-27H.
What are the key properties of 2-dibenzothiophen-1-yl-4-dibenzothiophen-3-yl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazine?
2-dibenzothiophen-1-yl-4-dibenzothiophen-3-yl-6-[2-(3-phenylphenyl)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-dibenzothiophen-1-yl-4-dibenzothiophen-3-yl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 139305041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).