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

C54H34N2O — CID 171458654

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

1,2,3,4,5,7,8-heptadeuterio-6-[1,2,3,4,6,7,8-heptadeuterio-5-(2-phenylphenyl)carbazol-9-yl]-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazole (PubChem CID 171458654) has the molecular formula C54H34N2O and a molecular weight of 745.99 g/mol. Its IUPAC name is 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,3,4,6,7,8-heptadeuterio-5-(2-phenylphenyl)carbazol-9-yl]-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazole.

Molecular Properties

• Compound Name: 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,3,4,6,7,8-heptadeuterio-5-(2-phenylphenyl)carbazol-9-yl]-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazole
• PubChem CID: 171458654
• Molecular Formula: C54H34N2O
• Molecular Weight: 745.99 g/mol
• Exact Mass: 745.39
• IUPAC Name: 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,3,4,6,7,8-heptadeuterio-5-(2-phenylphenyl)carbazol-9-yl]-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-c2cccc3oc4ccc(-n5c6c([2H])c([2H])c([2H])c([2H])c6c6c([2H])c(-n7c8c([2H])c([2H])c([2H])c([2H])c8c8c(-c9ccccc9-c9ccccc9)c([2H])c([2H])c([2H])c87)c([2H])c([2H])c65)cc4c23)c([2H])c1[2H]
• InChI: InChI=1S/C54H34N2O/c1-3-15-35(16-4-1)39-19-7-8-20-41(39)43-24-13-27-50-53(43)44-22-10-12-26-48(44)56(50)37-29-31-49-45(33-37)42-21-9-11-25-47(42)55(49)38-30-32-51-46(34-38)54-40(23-14-28-52(54)57-51)36-17-5-2-6-18-36/h1-34H/i2D,5D,6D,9D,10D,11D,12D,13D,17D,18D,21D,22D,24D,25D,26D,27D,29D,31D,33D
• InChIKey: LLWMWKRLLPMLHP-HHNYZKSCSA-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	745.99
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-[1,2,3,4,6,7,8-heptadeuterio-5-(2-phenylphenyl)carbazol-9-yl]-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazole?

The IUPAC name of 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,3,4,6,7,8-heptadeuterio-5-(2-phenylphenyl)carbazol-9-yl]-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazole (CID 171458654) is 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,3,4,6,7,8-heptadeuterio-5-(2-phenylphenyl)carbazol-9-yl]-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazole.

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

The canonical SMILES for 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,3,4,6,7,8-heptadeuterio-5-(2-phenylphenyl)carbazol-9-yl]-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazole is [2H]c1c([2H])c([2H])c(-c2cccc3oc4ccc(-n5c6c([2H])c([2H])c([2H])c([2H])c6c6c([2H])c(-n7c8c([2H])c([2H])c([2H])c([2H])c8c8c(-c9ccccc9-c9ccccc9)c([2H])c([2H])c([2H])c87)c([2H])c([2H])c65)cc4c23)c([2H])c1[2H].

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

The InChIKey is LLWMWKRLLPMLHP-HHNYZKSCSA-N. The full InChI is InChI=1S/C54H34N2O/c1-3-15-35(16-4-1)39-19-7-8-20-41(39)43-24-13-27-50-53(43)44-22-10-12-26-48(44)56(50)37-29-31-49-45(33-37)42-21-9-11-25-47(42)55(49)38-30-32-51-46(34-38)54-40(23-14-28-52(54)57-51)36-17-5-2-6-18-36/h1-34H/i2D,5D,6D,9D,10D,11D,12D,13D,17D,18D,21D,22D,24D,25D,26D,27D,29D,31D,33D.

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

1,2,3,4,5,7,8-heptadeuterio-6-[1,2,3,4,6,7,8-heptadeuterio-5-(2-phenylphenyl)carbazol-9-yl]-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazole has a molecular weight of 745.99 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-[1,2,3,4,6,7,8-heptadeuterio-5-(2-phenylphenyl)carbazol-9-yl]-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 171458654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).