2-tert-butyl-4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazine

C31H25N3S — CID 177113429

IUPAC2-tert-butyl-4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESCC(C)(C)c1nc(-c2cccc(-c3ccccc3)c2)nc(-c2cccc3sc4ccccc4c23)n1
InChIInChI=1S/C31H25N3S/c1-31(2,3)30-33-28(22-14-9-13-21(19-22)20-11-5-4-6-12-20)32-29(34-30)24-16-10-18-26-27(24)23-15-7-8-17-25(23)35-26/h4-19H,1-3H3
InChIKeyPIOYWQFDNGPHNT-UHFFFAOYSA-N
MW471.63 g/mol
LogP8.54
Rot. Bonds3

About 2-tert-butyl-4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazine

2-tert-butyl-4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 177113429) has the molecular formula C31H25N3S and a molecular weight of 471.63 g/mol. Its IUPAC name is 2-tert-butyl-4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-tert-butyl-4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID177113429
Molecular FormulaC31H25N3S
Molecular Weight471.63 g/mol
Exact Mass471.18
IUPAC Name2-tert-butyl-4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESCC(C)(C)c1nc(-c2cccc(-c3ccccc3)c2)nc(-c2cccc3sc4ccccc4c23)n1
InChIInChI=1S/C31H25N3S/c1-31(2,3)30-33-28(22-14-9-13-21(19-22)20-11-5-4-6-12-20)32-29(34-30)24-16-10-18-26-27(24)23-15-7-8-17-25(23)35-26/h4-19H,1-3H3
InChIKeyPIOYWQFDNGPHNT-UHFFFAOYSA-N
XLogP8.54
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.63
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-di(dibenzothiophen-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 139304948
2-(8-dibenzothiophen-1-ylnaphthalen-1-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 166933840
2,4-di(dibenzothiophen-1-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine
CID 164984529
2-(3-dibenzothiophen-1-ylphenyl)-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942551
2-tert-butyl-4-naphthalen-1-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 177113268
2-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942605
2-[3,5-di(dibenzothiophen-1-yl)phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942701
2-dibenzothiophen-1-yl-4-dibenzothiophen-3-yl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 139305041
2-(9-dibenzothiophen-1-yldibenzothiophen-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155377527
2,4-bis(3-dibenzothiophen-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 139304118
2,4-diphenyl-6-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134199031
2-dibenzothiophen-1-yl-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
CID 139305007

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-tert-butyl-4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazine (CID 177113429) is 2-tert-butyl-4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-tert-butyl-4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-tert-butyl-4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazine is CC(C)(C)c1nc(-c2cccc(-c3ccccc3)c2)nc(-c2cccc3sc4ccccc4c23)n1.
What is the InChIKey of 2-tert-butyl-4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is PIOYWQFDNGPHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N3S/c1-31(2,3)30-33-28(22-14-9-13-21(19-22)20-11-5-4-6-12-20)32-29(34-30)24-16-10-18-26-27(24)23-15-7-8-17-25(23)35-26/h4-19H,1-3H3.
What are the key properties of 2-tert-butyl-4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazine?
2-tert-butyl-4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 471.63 g/mol, XLogP of 8.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 177113429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).