1,2,3,4,5,7,8-heptadeuterio-6-(1,4,5,6,7,8-hexadeuterio-9-phenylcarbazol-3-yl)-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]carbazole

C60H38N2O — CID 176854209

About 1,2,3,4,5,7,8-heptadeuterio-6-(1,4,5,6,7,8-hexadeuterio-9-phenylcarbazol-3-yl)-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]carbazole

1,2,3,4,5,7,8-heptadeuterio-6-(1,4,5,6,7,8-hexadeuterio-9-phenylcarbazol-3-yl)-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]carbazole (PubChem CID 176854209) has the molecular formula C60H38N2O and a molecular weight of 831.15 g/mol. Its IUPAC name is 1,2,3,4,5,7,8-heptadeuterio-6-(1,4,5,6,7,8-hexadeuterio-9-phenylcarbazol-3-yl)-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]carbazole.

Molecular Properties

• Compound Name: 1,2,3,4,5,7,8-heptadeuterio-6-(1,4,5,6,7,8-hexadeuterio-9-phenylcarbazol-3-yl)-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]carbazole
• PubChem CID: 176854209
• Molecular Formula: C60H38N2O
• Molecular Weight: 831.15 g/mol
• Exact Mass: 830.47
• IUPAC Name: 1,2,3,4,5,7,8-heptadeuterio-6-(1,4,5,6,7,8-hexadeuterio-9-phenylcarbazol-3-yl)-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]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(-c9cc([2H])c%10c(c9[2H])c9c([2H])c([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/c1-3-13-39(14-4-1)42-15-11-16-43(35-42)40-25-27-41(28-26-40)44-31-34-59-53(38-44)50-21-12-24-58(60(50)63-59)62-55-23-10-8-20-49(55)52-37-46(30-33-57(52)62)45-29-32-56-51(36-45)48-19-7-9-22-54(48)61(56)47-17-5-2-6-18-47/h1-38H/i1D,3D,7D,8D,9D,10D,11D,12D,14D,15D,16D,19D,20D,21D,22D,23D,25D,27D,28D,30D,31D,32D,33D,34D,35D,36D,37D,38D
• InChIKey: VLCJURJIJZKQIG-LHTOURKESA-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	831.15
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-6-(1,4,5,6,7,8-hexadeuterio-9-phenylcarbazol-3-yl)-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]carbazole?

The IUPAC name of 1,2,3,4,5,7,8-heptadeuterio-6-(1,4,5,6,7,8-hexadeuterio-9-phenylcarbazol-3-yl)-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]carbazole (CID 176854209) is 1,2,3,4,5,7,8-heptadeuterio-6-(1,4,5,6,7,8-hexadeuterio-9-phenylcarbazol-3-yl)-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]carbazole.

What is the SMILES notation for 1,2,3,4,5,7,8-heptadeuterio-6-(1,4,5,6,7,8-hexadeuterio-9-phenylcarbazol-3-yl)-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]carbazole?

The canonical SMILES for 1,2,3,4,5,7,8-heptadeuterio-6-(1,4,5,6,7,8-hexadeuterio-9-phenylcarbazol-3-yl)-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]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(-c9cc([2H])c%10c(c9[2H])c9c([2H])c([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-6-(1,4,5,6,7,8-hexadeuterio-9-phenylcarbazol-3-yl)-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]carbazole?

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

What are the key properties of 1,2,3,4,5,7,8-heptadeuterio-6-(1,4,5,6,7,8-hexadeuterio-9-phenylcarbazol-3-yl)-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]carbazole?

1,2,3,4,5,7,8-heptadeuterio-6-(1,4,5,6,7,8-hexadeuterio-9-phenylcarbazol-3-yl)-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]carbazole has a molecular weight of 831.15 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-6-(1,4,5,6,7,8-hexadeuterio-9-phenylcarbazol-3-yl)-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]carbazole is sourced from PubChem (CID 176854209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).