1,2,4,5,7,8-hexadeuterio-9-[2,3,4,5-tetradeuterio-6-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)phenyl]-3,6-bis[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole

C54H35NO — CID 166011041

About 1,2,4,5,7,8-hexadeuterio-9-[2,3,4,5-tetradeuterio-6-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)phenyl]-3,6-bis[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole

1,2,4,5,7,8-hexadeuterio-9-[2,3,4,5-tetradeuterio-6-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)phenyl]-3,6-bis[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole (PubChem CID 166011041) has the molecular formula C54H35NO and a molecular weight of 749.09 g/mol. Its IUPAC name is 1,2,4,5,7,8-hexadeuterio-9-[2,3,4,5-tetradeuterio-6-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)phenyl]-3,6-bis[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole.

Molecular Properties

• Compound Name: 1,2,4,5,7,8-hexadeuterio-9-[2,3,4,5-tetradeuterio-6-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)phenyl]-3,6-bis[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
• PubChem CID: 166011041
• Molecular Formula: C54H35NO
• Molecular Weight: 749.09 g/mol
• Exact Mass: 748.49
• IUPAC Name: 1,2,4,5,7,8-hexadeuterio-9-[2,3,4,5-tetradeuterio-6-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)phenyl]-3,6-bis[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c([2H])c2-c2c([2H])c([2H])c3c(c2[2H])c2c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c([2H])c([2H])c2n3-c2c([2H])c([2H])c([2H])c([2H])c2-c2c([2H])c([2H])c([2H])c3oc4c([2H])c([2H])c([2H])c([2H])c4c23)c([2H])c1[2H]
• InChI: InChI=1S/C54H35NO/c1-3-16-36(17-4-1)40-20-7-9-22-42(40)38-30-32-50-47(34-38)48-35-39(43-23-10-8-21-41(43)37-18-5-2-6-19-37)31-33-51(48)55(50)49-27-13-11-24-44(49)45-26-15-29-53-54(45)46-25-12-14-28-52(46)56-53/h1-35H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D,31D,32D,33D,34D,35D
• InChIKey: FKAQTNQALKDLHG-HNLFIKSUSA-N
• XLogP: 15.02
• TPSA: 18.07 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	749.09
LogP ≤ 5	15.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5,7,8-hexadeuterio-9-[2,3,4,5-tetradeuterio-6-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)phenyl]-3,6-bis[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole?

The IUPAC name of 1,2,4,5,7,8-hexadeuterio-9-[2,3,4,5-tetradeuterio-6-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)phenyl]-3,6-bis[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole (CID 166011041) is 1,2,4,5,7,8-hexadeuterio-9-[2,3,4,5-tetradeuterio-6-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)phenyl]-3,6-bis[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole.

What is the SMILES notation for 1,2,4,5,7,8-hexadeuterio-9-[2,3,4,5-tetradeuterio-6-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)phenyl]-3,6-bis[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole?

The canonical SMILES for 1,2,4,5,7,8-hexadeuterio-9-[2,3,4,5-tetradeuterio-6-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)phenyl]-3,6-bis[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c([2H])c2-c2c([2H])c([2H])c3c(c2[2H])c2c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c([2H])c([2H])c2n3-c2c([2H])c([2H])c([2H])c([2H])c2-c2c([2H])c([2H])c([2H])c3oc4c([2H])c([2H])c([2H])c([2H])c4c23)c([2H])c1[2H].

What is the InChIKey of 1,2,4,5,7,8-hexadeuterio-9-[2,3,4,5-tetradeuterio-6-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)phenyl]-3,6-bis[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole?

The InChIKey is FKAQTNQALKDLHG-HNLFIKSUSA-N. The full InChI is InChI=1S/C54H35NO/c1-3-16-36(17-4-1)40-20-7-9-22-42(40)38-30-32-50-47(34-38)48-35-39(43-23-10-8-21-41(43)37-18-5-2-6-19-37)31-33-51(48)55(50)49-27-13-11-24-44(49)45-26-15-29-53-54(45)46-25-12-14-28-52(46)56-53/h1-35H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D,31D,32D,33D,34D,35D.

What are the key properties of 1,2,4,5,7,8-hexadeuterio-9-[2,3,4,5-tetradeuterio-6-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)phenyl]-3,6-bis[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole?

1,2,4,5,7,8-hexadeuterio-9-[2,3,4,5-tetradeuterio-6-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)phenyl]-3,6-bis[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole has a molecular weight of 749.09 g/mol, XLogP of 15.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,4,5,7,8-hexadeuterio-9-[2,3,4,5-tetradeuterio-6-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)phenyl]-3,6-bis[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole is sourced from PubChem (CID 166011041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).