9-[5-(4-dibenzofuran-3-ylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole

C63H54N4O2 — CID 164726941

About 9-[5-(4-dibenzofuran-3-ylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole

9-[5-(4-dibenzofuran-3-ylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole (PubChem CID 164726941) has the molecular formula C63H54N4O2 and a molecular weight of 899.15 g/mol. Its IUPAC name is 9-[5-(4-dibenzofuran-3-ylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole.

Molecular Properties

• Compound Name: 9-[5-(4-dibenzofuran-3-ylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
• PubChem CID: 164726941
• Molecular Formula: C63H54N4O2
• Molecular Weight: 899.15 g/mol
• Exact Mass: 898.42
• IUPAC Name: 9-[5-(4-dibenzofuran-3-ylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
• SMILES: Cc1cc(-n2c3ccccc3c3ccc(Oc4cccc(N5CN(c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6ccccc65)c4)cc32)ncc1-c1ccc(-c2ccc3c(c2)oc2ccccc23)cc1
• InChI: InChI=1S/C63H54N4O2/c1-40-31-61(64-38-54(40)42-25-23-41(24-26-42)43-27-29-53-52-18-9-13-22-59(52)69-60(53)32-43)67-55-19-10-8-17-50(55)51-30-28-49(37-58(51)67)68-48-16-14-15-46(36-48)65-39-66(57-21-12-11-20-56(57)65)47-34-44(62(2,3)4)33-45(35-47)63(5,6)7/h8-38H,39H2,1-7H3
• InChIKey: YXNZYUKECDVXNN-UHFFFAOYSA-N
• XLogP: 17.36
• TPSA: 46.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	899.15
LogP ≤ 5	17.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-[5-(4-dibenzofuran-3-ylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole?

The IUPAC name of 9-[5-(4-dibenzofuran-3-ylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole (CID 164726941) is 9-[5-(4-dibenzofuran-3-ylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole.

What is the SMILES notation for 9-[5-(4-dibenzofuran-3-ylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole?

The canonical SMILES for 9-[5-(4-dibenzofuran-3-ylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole is Cc1cc(-n2c3ccccc3c3ccc(Oc4cccc(N5CN(c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6ccccc65)c4)cc32)ncc1-c1ccc(-c2ccc3c(c2)oc2ccccc23)cc1.

What is the InChIKey of 9-[5-(4-dibenzofuran-3-ylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole?

The InChIKey is YXNZYUKECDVXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H54N4O2/c1-40-31-61(64-38-54(40)42-25-23-41(24-26-42)43-27-29-53-52-18-9-13-22-59(52)69-60(53)32-43)67-55-19-10-8-17-50(55)51-30-28-49(37-58(51)67)68-48-16-14-15-46(36-48)65-39-66(57-21-12-11-20-56(57)65)47-34-44(62(2,3)4)33-45(35-47)63(5,6)7/h8-38H,39H2,1-7H3.

What are the key properties of 9-[5-(4-dibenzofuran-3-ylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole?

9-[5-(4-dibenzofuran-3-ylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole has a molecular weight of 899.15 g/mol, XLogP of 17.36, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[5-(4-dibenzofuran-3-ylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole is sourced from PubChem (CID 164726941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).