1,2,3,4,5,7,8-heptadeuterio-9-[1,2,6,7,9-pentadeuterio-8-[2,3,6-trideuterio-4-[2,3,4,6-tetradeuterio-5-(2,4,5-trideuteriophenyl)phenyl]phenyl]dibenzofuran-4-yl]-6-(1,6,7,8-tetradeuterio-9-phenylcarbazol-4-yl)carbazole

C60H38N2O — CID 176854268

About 1,2,3,4,5,7,8-heptadeuterio-9-[1,2,6,7,9-pentadeuterio-8-[2,3,6-trideuterio-4-[2,3,4,6-tetradeuterio-5-(2,4,5-trideuteriophenyl)phenyl]phenyl]dibenzofuran-4-yl]-6-(1,6,7,8-tetradeuterio-9-phenylcarbazol-4-yl)carbazole

1,2,3,4,5,7,8-heptadeuterio-9-[1,2,6,7,9-pentadeuterio-8-[2,3,6-trideuterio-4-[2,3,4,6-tetradeuterio-5-(2,4,5-trideuteriophenyl)phenyl]phenyl]dibenzofuran-4-yl]-6-(1,6,7,8-tetradeuterio-9-phenylcarbazol-4-yl)carbazole (PubChem CID 176854268) has the molecular formula C60H38N2O and a molecular weight of 829.14 g/mol. Its IUPAC name is 1,2,3,4,5,7,8-heptadeuterio-9-[1,2,6,7,9-pentadeuterio-8-[2,3,6-trideuterio-4-[2,3,4,6-tetradeuterio-5-(2,4,5-trideuteriophenyl)phenyl]phenyl]dibenzofuran-4-yl]-6-(1,6,7,8-tetradeuterio-9-phenylcarbazol-4-yl)carbazole.

Molecular Properties

• Compound Name: 1,2,3,4,5,7,8-heptadeuterio-9-[1,2,6,7,9-pentadeuterio-8-[2,3,6-trideuterio-4-[2,3,4,6-tetradeuterio-5-(2,4,5-trideuteriophenyl)phenyl]phenyl]dibenzofuran-4-yl]-6-(1,6,7,8-tetradeuterio-9-phenylcarbazol-4-yl)carbazole
• PubChem CID: 176854268
• Molecular Formula: C60H38N2O
• Molecular Weight: 829.14 g/mol
• Exact Mass: 828.46
• IUPAC Name: 1,2,3,4,5,7,8-heptadeuterio-9-[1,2,6,7,9-pentadeuterio-8-[2,3,6-trideuterio-4-[2,3,4,6-tetradeuterio-5-(2,4,5-trideuteriophenyl)phenyl]phenyl]dibenzofuran-4-yl]-6-(1,6,7,8-tetradeuterio-9-phenylcarbazol-4-yl)carbazole
• SMILES: [2H]c1cc([2H])c(-c2c([2H])c([2H])c([2H])c(-c3cc([2H])c(-c4c([2H])c([2H])c5oc6c(-n7c8c([2H])c([2H])c([2H])c([2H])c8c8c([2H])c(-c9ccc([2H])c%10c9c9cc([2H])c([2H])c([2H])c9n%10-c9ccccc9)c([2H])c([2H])c87)cc([2H])c([2H])c6c5c4[2H])c([2H])c3[2H])c2[2H])cc1[2H]
• InChI: InChI=1S/C60H38N2O/c1-3-14-39(15-4-1)42-16-11-17-43(36-42)40-28-30-41(31-29-40)44-33-35-58-52(37-44)49-23-13-27-57(60(49)63-58)62-53-24-9-7-20-48(53)51-38-45(32-34-55(51)62)47-22-12-26-56-59(47)50-21-8-10-25-54(50)61(56)46-18-5-2-6-19-46/h1-38H/i1D,3D,7D,8D,9D,10D,11D,13D,15D,16D,17D,20D,23D,24D,25D,26D,28D,30D,31D,32D,33D,34D,35D,36D,37D,38D
• InChIKey: UNPAPJTWMKAUIO-YXAWXOFFSA-N
• XLogP: 16.45
• TPSA: 23.00 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	829.14
LogP ≤ 5	16.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,7,8-heptadeuterio-9-[1,2,6,7,9-pentadeuterio-8-[2,3,6-trideuterio-4-[2,3,4,6-tetradeuterio-5-(2,4,5-trideuteriophenyl)phenyl]phenyl]dibenzofuran-4-yl]-6-(1,6,7,8-tetradeuterio-9-phenylcarbazol-4-yl)carbazole?

The IUPAC name of 1,2,3,4,5,7,8-heptadeuterio-9-[1,2,6,7,9-pentadeuterio-8-[2,3,6-trideuterio-4-[2,3,4,6-tetradeuterio-5-(2,4,5-trideuteriophenyl)phenyl]phenyl]dibenzofuran-4-yl]-6-(1,6,7,8-tetradeuterio-9-phenylcarbazol-4-yl)carbazole (CID 176854268) is 1,2,3,4,5,7,8-heptadeuterio-9-[1,2,6,7,9-pentadeuterio-8-[2,3,6-trideuterio-4-[2,3,4,6-tetradeuterio-5-(2,4,5-trideuteriophenyl)phenyl]phenyl]dibenzofuran-4-yl]-6-(1,6,7,8-tetradeuterio-9-phenylcarbazol-4-yl)carbazole.

What is the SMILES notation for 1,2,3,4,5,7,8-heptadeuterio-9-[1,2,6,7,9-pentadeuterio-8-[2,3,6-trideuterio-4-[2,3,4,6-tetradeuterio-5-(2,4,5-trideuteriophenyl)phenyl]phenyl]dibenzofuran-4-yl]-6-(1,6,7,8-tetradeuterio-9-phenylcarbazol-4-yl)carbazole?

The canonical SMILES for 1,2,3,4,5,7,8-heptadeuterio-9-[1,2,6,7,9-pentadeuterio-8-[2,3,6-trideuterio-4-[2,3,4,6-tetradeuterio-5-(2,4,5-trideuteriophenyl)phenyl]phenyl]dibenzofuran-4-yl]-6-(1,6,7,8-tetradeuterio-9-phenylcarbazol-4-yl)carbazole is [2H]c1cc([2H])c(-c2c([2H])c([2H])c([2H])c(-c3cc([2H])c(-c4c([2H])c([2H])c5oc6c(-n7c8c([2H])c([2H])c([2H])c([2H])c8c8c([2H])c(-c9ccc([2H])c%10c9c9cc([2H])c([2H])c([2H])c9n%10-c9ccccc9)c([2H])c([2H])c87)cc([2H])c([2H])c6c5c4[2H])c([2H])c3[2H])c2[2H])cc1[2H].

What is the InChIKey of 1,2,3,4,5,7,8-heptadeuterio-9-[1,2,6,7,9-pentadeuterio-8-[2,3,6-trideuterio-4-[2,3,4,6-tetradeuterio-5-(2,4,5-trideuteriophenyl)phenyl]phenyl]dibenzofuran-4-yl]-6-(1,6,7,8-tetradeuterio-9-phenylcarbazol-4-yl)carbazole?

The InChIKey is UNPAPJTWMKAUIO-YXAWXOFFSA-N. The full InChI is InChI=1S/C60H38N2O/c1-3-14-39(15-4-1)42-16-11-17-43(36-42)40-28-30-41(31-29-40)44-33-35-58-52(37-44)49-23-13-27-57(60(49)63-58)62-53-24-9-7-20-48(53)51-38-45(32-34-55(51)62)47-22-12-26-56-59(47)50-21-8-10-25-54(50)61(56)46-18-5-2-6-19-46/h1-38H/i1D,3D,7D,8D,9D,10D,11D,13D,15D,16D,17D,20D,23D,24D,25D,26D,28D,30D,31D,32D,33D,34D,35D,36D,37D,38D.

What are the key properties of 1,2,3,4,5,7,8-heptadeuterio-9-[1,2,6,7,9-pentadeuterio-8-[2,3,6-trideuterio-4-[2,3,4,6-tetradeuterio-5-(2,4,5-trideuteriophenyl)phenyl]phenyl]dibenzofuran-4-yl]-6-(1,6,7,8-tetradeuterio-9-phenylcarbazol-4-yl)carbazole?

1,2,3,4,5,7,8-heptadeuterio-9-[1,2,6,7,9-pentadeuterio-8-[2,3,6-trideuterio-4-[2,3,4,6-tetradeuterio-5-(2,4,5-trideuteriophenyl)phenyl]phenyl]dibenzofuran-4-yl]-6-(1,6,7,8-tetradeuterio-9-phenylcarbazol-4-yl)carbazole has a molecular weight of 829.14 g/mol, XLogP of 16.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,5,7,8-heptadeuterio-9-[1,2,6,7,9-pentadeuterio-8-[2,3,6-trideuterio-4-[2,3,4,6-tetradeuterio-5-(2,4,5-trideuteriophenyl)phenyl]phenyl]dibenzofuran-4-yl]-6-(1,6,7,8-tetradeuterio-9-phenylcarbazol-4-yl)carbazole is sourced from PubChem (CID 176854268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).