1,2,3,4,5,6,7,8-octadeuterio-9-[4-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-6-[1,2,3,4,5,6,8-heptadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole

C57H35N5O — CID 177268031

About 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-6-[1,2,3,4,5,6,8-heptadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole

1,2,3,4,5,6,7,8-octadeuterio-9-[4-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-6-[1,2,3,4,5,6,8-heptadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole (PubChem CID 177268031) has the molecular formula C57H35N5O and a molecular weight of 826.06 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-6-[1,2,3,4,5,6,8-heptadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

• Compound Name: 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-6-[1,2,3,4,5,6,8-heptadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole
• PubChem CID: 177268031
• Molecular Formula: C57H35N5O
• Molecular Weight: 826.06 g/mol
• Exact Mass: 825.41
• IUPAC Name: 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-6-[1,2,3,4,5,6,8-heptadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c3c4c([2H])c([2H])c([2H])c([2H])c4n(-c4nc(-c5cccc(-c6cccc(-c7ccc8oc9ccccc9c8c7)c6)c5)nc(-n5c6c([2H])c([2H])c([2H])c([2H])c6c6c([2H])c([2H])c([2H])c([2H])c65)n4)c3c2[2H])c([2H])c1[2H]
• InChI: InChI=1S/C57H35N5O/c1-2-14-36(15-3-1)41-28-30-46-45-22-6-10-26-51(45)62(52(46)35-41)57-59-55(58-56(60-57)61-49-24-8-4-20-43(49)44-21-5-9-25-50(44)61)42-19-13-18-39(33-42)37-16-12-17-38(32-37)40-29-31-54-48(34-40)47-23-7-11-27-53(47)63-54/h1-35H/i1D,2D,3D,4D,5D,6D,8D,9D,10D,14D,15D,20D,21D,22D,24D,25D,26D,28D,30D,35D
• InChIKey: VYGYYOHLZFIWRM-HLWDNZFPSA-N
• XLogP: 14.63
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	826.06
LogP ≤ 5	14.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-6-[1,2,3,4,5,6,8-heptadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole?

The IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-6-[1,2,3,4,5,6,8-heptadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole (CID 177268031) is 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-6-[1,2,3,4,5,6,8-heptadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole.

What is the SMILES notation for 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-6-[1,2,3,4,5,6,8-heptadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole?

The canonical SMILES for 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-6-[1,2,3,4,5,6,8-heptadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c3c4c([2H])c([2H])c([2H])c([2H])c4n(-c4nc(-c5cccc(-c6cccc(-c7ccc8oc9ccccc9c8c7)c6)c5)nc(-n5c6c([2H])c([2H])c([2H])c([2H])c6c6c([2H])c([2H])c([2H])c([2H])c65)n4)c3c2[2H])c([2H])c1[2H].

What is the InChIKey of 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-6-[1,2,3,4,5,6,8-heptadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole?

The InChIKey is VYGYYOHLZFIWRM-HLWDNZFPSA-N. The full InChI is InChI=1S/C57H35N5O/c1-2-14-36(15-3-1)41-28-30-46-45-22-6-10-26-51(45)62(52(46)35-41)57-59-55(58-56(60-57)61-49-24-8-4-20-43(49)44-21-5-9-25-50(44)61)42-19-13-18-39(33-42)37-16-12-17-38(32-37)40-29-31-54-48(34-40)47-23-7-11-27-53(47)63-54/h1-35H/i1D,2D,3D,4D,5D,6D,8D,9D,10D,14D,15D,20D,21D,22D,24D,25D,26D,28D,30D,35D.

What are the key properties of 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-6-[1,2,3,4,5,6,8-heptadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole?

1,2,3,4,5,6,7,8-octadeuterio-9-[4-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-6-[1,2,3,4,5,6,8-heptadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole has a molecular weight of 826.06 g/mol, XLogP of 14.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-6-[1,2,3,4,5,6,8-heptadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 177268031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).