1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-[4-(4-deuteriophenyl)phenyl]carbazol-3-yl]-9-[2,3,6,7,8,9-hexadeuterio-4-(2,4,6-trideuteriophenyl)dibenzofuran-1-yl]carbazole

C54H34N2O — CID 172512064

About 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-[4-(4-deuteriophenyl)phenyl]carbazol-3-yl]-9-[2,3,6,7,8,9-hexadeuterio-4-(2,4,6-trideuteriophenyl)dibenzofuran-1-yl]carbazole

1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-[4-(4-deuteriophenyl)phenyl]carbazol-3-yl]-9-[2,3,6,7,8,9-hexadeuterio-4-(2,4,6-trideuteriophenyl)dibenzofuran-1-yl]carbazole (PubChem CID 172512064) has the molecular formula C54H34N2O and a molecular weight of 751.03 g/mol. Its IUPAC name is 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-[4-(4-deuteriophenyl)phenyl]carbazol-3-yl]-9-[2,3,6,7,8,9-hexadeuterio-4-(2,4,6-trideuteriophenyl)dibenzofuran-1-yl]carbazole.

Molecular Properties

• Compound Name: 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-[4-(4-deuteriophenyl)phenyl]carbazol-3-yl]-9-[2,3,6,7,8,9-hexadeuterio-4-(2,4,6-trideuteriophenyl)dibenzofuran-1-yl]carbazole
• PubChem CID: 172512064
• Molecular Formula: C54H34N2O
• Molecular Weight: 751.03 g/mol
• Exact Mass: 750.42
• IUPAC Name: 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-[4-(4-deuteriophenyl)phenyl]carbazol-3-yl]-9-[2,3,6,7,8,9-hexadeuterio-4-(2,4,6-trideuteriophenyl)dibenzofuran-1-yl]carbazole
• SMILES: [2H]c1ccc(-c2ccc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c(-c5c([2H])c([2H])c6c(c5[2H])c5c([2H])c([2H])c([2H])c([2H])c5n6-c5c([2H])c([2H])c(-c6c([2H])cc([2H])cc6[2H])c6oc7c([2H])c([2H])c([2H])c([2H])c7c56)c([2H])c([2H])c43)cc2)cc1
• InChI: InChI=1S/C54H34N2O/c1-3-13-35(14-4-1)36-23-27-40(28-24-36)55-47-20-10-7-17-42(47)45-33-38(25-30-49(45)55)39-26-31-50-46(34-39)43-18-8-11-21-48(43)56(50)51-32-29-41(37-15-5-2-6-16-37)54-53(51)44-19-9-12-22-52(44)57-54/h1-34H/i1D,2D,7D,8D,9D,10D,11D,12D,15D,16D,17D,18D,19D,20D,21D,22D,25D,26D,29D,30D,31D,32D,33D,34D
• InChIKey: CALWYDZBPQWSBS-PDHKOPIZSA-N
• XLogP: 14.78
• TPSA: 23.00 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	751.03
LogP ≤ 5	14.78
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-[1,2,4,5,6,7,8-heptadeuterio-9-[4-(4-deuteriophenyl)phenyl]carbazol-3-yl]-9-[2,3,6,7,8,9-hexadeuterio-4-(2,4,6-trideuteriophenyl)dibenzofuran-1-yl]carbazole?

The IUPAC name of 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-[4-(4-deuteriophenyl)phenyl]carbazol-3-yl]-9-[2,3,6,7,8,9-hexadeuterio-4-(2,4,6-trideuteriophenyl)dibenzofuran-1-yl]carbazole (CID 172512064) is 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-[4-(4-deuteriophenyl)phenyl]carbazol-3-yl]-9-[2,3,6,7,8,9-hexadeuterio-4-(2,4,6-trideuteriophenyl)dibenzofuran-1-yl]carbazole.

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

The canonical SMILES for 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-[4-(4-deuteriophenyl)phenyl]carbazol-3-yl]-9-[2,3,6,7,8,9-hexadeuterio-4-(2,4,6-trideuteriophenyl)dibenzofuran-1-yl]carbazole is [2H]c1ccc(-c2ccc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c(-c5c([2H])c([2H])c6c(c5[2H])c5c([2H])c([2H])c([2H])c([2H])c5n6-c5c([2H])c([2H])c(-c6c([2H])cc([2H])cc6[2H])c6oc7c([2H])c([2H])c([2H])c([2H])c7c56)c([2H])c([2H])c43)cc2)cc1.

What is the InChIKey of 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-[4-(4-deuteriophenyl)phenyl]carbazol-3-yl]-9-[2,3,6,7,8,9-hexadeuterio-4-(2,4,6-trideuteriophenyl)dibenzofuran-1-yl]carbazole?

The InChIKey is CALWYDZBPQWSBS-PDHKOPIZSA-N. The full InChI is InChI=1S/C54H34N2O/c1-3-13-35(14-4-1)36-23-27-40(28-24-36)55-47-20-10-7-17-42(47)45-33-38(25-30-49(45)55)39-26-31-50-46(34-39)43-18-8-11-21-48(43)56(50)51-32-29-41(37-15-5-2-6-16-37)54-53(51)44-19-9-12-22-52(44)57-54/h1-34H/i1D,2D,7D,8D,9D,10D,11D,12D,15D,16D,17D,18D,19D,20D,21D,22D,25D,26D,29D,30D,31D,32D,33D,34D.

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

1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-[4-(4-deuteriophenyl)phenyl]carbazol-3-yl]-9-[2,3,6,7,8,9-hexadeuterio-4-(2,4,6-trideuteriophenyl)dibenzofuran-1-yl]carbazole has a molecular weight of 751.03 g/mol, XLogP of 14.78, 5 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-[1,2,4,5,6,7,8-heptadeuterio-9-[4-(4-deuteriophenyl)phenyl]carbazol-3-yl]-9-[2,3,6,7,8,9-hexadeuterio-4-(2,4,6-trideuteriophenyl)dibenzofuran-1-yl]carbazole is sourced from PubChem (CID 172512064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).