(2R)-2,6-diphenyl-4-[3-[8-(8-phenyldibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine

C51H33N3OS — CID 166744213

About (2R)-2,6-diphenyl-4-[3-[8-(8-phenyldibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine

(2R)-2,6-diphenyl-4-[3-[8-(8-phenyldibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine (PubChem CID 166744213) has the molecular formula C51H33N3OS and a molecular weight of 735.91 g/mol. Its IUPAC name is (2R)-2,6-diphenyl-4-[3-[8-(8-phenyldibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine.

Molecular Properties

• Compound Name: (2R)-2,6-diphenyl-4-[3-[8-(8-phenyldibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine
• PubChem CID: 166744213
• Molecular Formula: C51H33N3OS
• Molecular Weight: 735.91 g/mol
• Exact Mass: 735.23
• IUPAC Name: (2R)-2,6-diphenyl-4-[3-[8-(8-phenyldibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine
• SMILES: c1ccc(C2=NC(c3cccc(-c4cccc5oc6ccc(-c7cccc8c7sc7ccc(-c9ccccc9)cc78)cc6c45)c3)=N[C@H](c3ccccc3)N2)cc1
• InChI: InChI=1S/C51H33N3OS/c1-4-13-32(14-5-1)35-26-28-46-42(30-35)41-23-11-22-40(48(41)56-46)37-25-27-44-43(31-37)47-39(21-12-24-45(47)55-44)36-19-10-20-38(29-36)51-53-49(33-15-6-2-7-16-33)52-50(54-51)34-17-8-3-9-18-34/h1-31,49H,(H,52,53,54)/t49-/m1/s1
• InChIKey: DCJMTHLECWJKRZ-ANFMRNGASA-N
• XLogP: 13.45
• TPSA: 49.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	735.91
LogP ≤ 5	13.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-2,6-diphenyl-4-[3-[8-(8-phenyldibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine?

The IUPAC name of (2R)-2,6-diphenyl-4-[3-[8-(8-phenyldibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine (CID 166744213) is (2R)-2,6-diphenyl-4-[3-[8-(8-phenyldibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine.

What is the SMILES notation for (2R)-2,6-diphenyl-4-[3-[8-(8-phenyldibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine?

The canonical SMILES for (2R)-2,6-diphenyl-4-[3-[8-(8-phenyldibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3cccc(-c4cccc5oc6ccc(-c7cccc8c7sc7ccc(-c9ccccc9)cc78)cc6c45)c3)=N[C@H](c3ccccc3)N2)cc1.

What is the InChIKey of (2R)-2,6-diphenyl-4-[3-[8-(8-phenyldibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine?

The InChIKey is DCJMTHLECWJKRZ-ANFMRNGASA-N. The full InChI is InChI=1S/C51H33N3OS/c1-4-13-32(14-5-1)35-26-28-46-42(30-35)41-23-11-22-40(48(41)56-46)37-25-27-44-43(31-37)47-39(21-12-24-45(47)55-44)36-19-10-20-38(29-36)51-53-49(33-15-6-2-7-16-33)52-50(54-51)34-17-8-3-9-18-34/h1-31,49H,(H,52,53,54)/t49-/m1/s1.

What are the key properties of (2R)-2,6-diphenyl-4-[3-[8-(8-phenyldibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine?

(2R)-2,6-diphenyl-4-[3-[8-(8-phenyldibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine has a molecular weight of 735.91 g/mol, XLogP of 13.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2,6-diphenyl-4-[3-[8-(8-phenyldibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 166744213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).