5-[2,6-di(carbazol-9-yl)phenyl]-2-[2-[2-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]propan-2-yl]carbazol-9-yl]pyridine-4-carbonitrile

C65H47N7 — CID 169289054

About 5-[2,6-di(carbazol-9-yl)phenyl]-2-[2-[2-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]propan-2-yl]carbazol-9-yl]pyridine-4-carbonitrile

5-[2,6-di(carbazol-9-yl)phenyl]-2-[2-[2-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]propan-2-yl]carbazol-9-yl]pyridine-4-carbonitrile (PubChem CID 169289054) has the molecular formula C65H47N7 and a molecular weight of 926.14 g/mol. Its IUPAC name is 5-[2,6-di(carbazol-9-yl)phenyl]-2-[2-[2-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]propan-2-yl]carbazol-9-yl]pyridine-4-carbonitrile.

Molecular Properties

• Compound Name: 5-[2,6-di(carbazol-9-yl)phenyl]-2-[2-[2-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]propan-2-yl]carbazol-9-yl]pyridine-4-carbonitrile
• PubChem CID: 169289054
• Molecular Formula: C65H47N7
• Molecular Weight: 926.14 g/mol
• Exact Mass: 925.39
• IUPAC Name: 5-[2,6-di(carbazol-9-yl)phenyl]-2-[2-[2-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]propan-2-yl]carbazol-9-yl]pyridine-4-carbonitrile
• SMILES: CN1CN(c2cccc(C(C)(C)c3ccc4c5ccccc5n(-c5cc(C#N)c(-c6c(-n7c8ccccc8c8ccccc87)cccc6-n6c7ccccc7c7ccccc76)cn5)c4c3)c2)c2ccccc21
• InChI: InChI=1S/C65H47N7/c1-65(2,43-18-16-19-45(37-43)69-41-68(3)58-30-14-15-31-59(58)69)44-34-35-51-50-24-8-13-29-57(50)72(62(51)38-44)63-36-42(39-66)52(40-67-63)64-60(70-53-25-9-4-20-46(53)47-21-5-10-26-54(47)70)32-17-33-61(64)71-55-27-11-6-22-48(55)49-23-7-12-28-56(49)71/h4-38,40H,41H2,1-3H3
• InChIKey: XFSVXBYCPRLZEO-UHFFFAOYSA-N
• XLogP: 15.78
• TPSA: 57.95 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	926.14
LogP ≤ 5	15.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[2,6-di(carbazol-9-yl)phenyl]-2-[2-[2-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]propan-2-yl]carbazol-9-yl]pyridine-4-carbonitrile?

The IUPAC name of 5-[2,6-di(carbazol-9-yl)phenyl]-2-[2-[2-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]propan-2-yl]carbazol-9-yl]pyridine-4-carbonitrile (CID 169289054) is 5-[2,6-di(carbazol-9-yl)phenyl]-2-[2-[2-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]propan-2-yl]carbazol-9-yl]pyridine-4-carbonitrile.

What is the SMILES notation for 5-[2,6-di(carbazol-9-yl)phenyl]-2-[2-[2-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]propan-2-yl]carbazol-9-yl]pyridine-4-carbonitrile?

The canonical SMILES for 5-[2,6-di(carbazol-9-yl)phenyl]-2-[2-[2-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]propan-2-yl]carbazol-9-yl]pyridine-4-carbonitrile is CN1CN(c2cccc(C(C)(C)c3ccc4c5ccccc5n(-c5cc(C#N)c(-c6c(-n7c8ccccc8c8ccccc87)cccc6-n6c7ccccc7c7ccccc76)cn5)c4c3)c2)c2ccccc21.

What is the InChIKey of 5-[2,6-di(carbazol-9-yl)phenyl]-2-[2-[2-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]propan-2-yl]carbazol-9-yl]pyridine-4-carbonitrile?

The InChIKey is XFSVXBYCPRLZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H47N7/c1-65(2,43-18-16-19-45(37-43)69-41-68(3)58-30-14-15-31-59(58)69)44-34-35-51-50-24-8-13-29-57(50)72(62(51)38-44)63-36-42(39-66)52(40-67-63)64-60(70-53-25-9-4-20-46(53)47-21-5-10-26-54(47)70)32-17-33-61(64)71-55-27-11-6-22-48(55)49-23-7-12-28-56(49)71/h4-38,40H,41H2,1-3H3.

What are the key properties of 5-[2,6-di(carbazol-9-yl)phenyl]-2-[2-[2-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]propan-2-yl]carbazol-9-yl]pyridine-4-carbonitrile?

5-[2,6-di(carbazol-9-yl)phenyl]-2-[2-[2-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]propan-2-yl]carbazol-9-yl]pyridine-4-carbonitrile has a molecular weight of 926.14 g/mol, XLogP of 15.78, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2,6-di(carbazol-9-yl)phenyl]-2-[2-[2-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]propan-2-yl]carbazol-9-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 169289054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).