9-(1H-benzimidazol-2-yl)-2-[3-[3-(4-tert-butyl-2-phenylphenyl)-2H-imidazol-1-yl]phenoxy]carbazole

C44H37N5O — CID 155652048

About 9-(1H-benzimidazol-2-yl)-2-[3-[3-(4-tert-butyl-2-phenylphenyl)-2H-imidazol-1-yl]phenoxy]carbazole

9-(1H-benzimidazol-2-yl)-2-[3-[3-(4-tert-butyl-2-phenylphenyl)-2H-imidazol-1-yl]phenoxy]carbazole (PubChem CID 155652048) has the molecular formula C44H37N5O and a molecular weight of 651.81 g/mol. Its IUPAC name is 9-(1H-benzimidazol-2-yl)-2-[3-[3-(4-tert-butyl-2-phenylphenyl)-2H-imidazol-1-yl]phenoxy]carbazole.

Molecular Properties

• Compound Name: 9-(1H-benzimidazol-2-yl)-2-[3-[3-(4-tert-butyl-2-phenylphenyl)-2H-imidazol-1-yl]phenoxy]carbazole
• PubChem CID: 155652048
• Molecular Formula: C44H37N5O
• Molecular Weight: 651.81 g/mol
• Exact Mass: 651.30
• IUPAC Name: 9-(1H-benzimidazol-2-yl)-2-[3-[3-(4-tert-butyl-2-phenylphenyl)-2H-imidazol-1-yl]phenoxy]carbazole
• SMILES: CC(C)(C)c1ccc(N2C=CN(c3cccc(Oc4ccc5c6ccccc6n(-c6nc7ccccc7[nH]6)c5c4)c3)C2)c(-c2ccccc2)c1
• InChI: InChI=1S/C44H37N5O/c1-44(2,3)31-20-23-40(37(26-31)30-12-5-4-6-13-30)48-25-24-47(29-48)32-14-11-15-33(27-32)50-34-21-22-36-35-16-7-10-19-41(35)49(42(36)28-34)43-45-38-17-8-9-18-39(38)46-43/h4-28H,29H2,1-3H3,(H,45,46)
• InChIKey: LTYMOEXJQNFDDV-UHFFFAOYSA-N
• XLogP: 11.17
• TPSA: 49.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	651.81
LogP ≤ 5	11.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-(1H-benzimidazol-2-yl)-2-[3-[3-(4-tert-butyl-2-phenylphenyl)-2H-imidazol-1-yl]phenoxy]carbazole?

The IUPAC name of 9-(1H-benzimidazol-2-yl)-2-[3-[3-(4-tert-butyl-2-phenylphenyl)-2H-imidazol-1-yl]phenoxy]carbazole (CID 155652048) is 9-(1H-benzimidazol-2-yl)-2-[3-[3-(4-tert-butyl-2-phenylphenyl)-2H-imidazol-1-yl]phenoxy]carbazole.

What is the SMILES notation for 9-(1H-benzimidazol-2-yl)-2-[3-[3-(4-tert-butyl-2-phenylphenyl)-2H-imidazol-1-yl]phenoxy]carbazole?

The canonical SMILES for 9-(1H-benzimidazol-2-yl)-2-[3-[3-(4-tert-butyl-2-phenylphenyl)-2H-imidazol-1-yl]phenoxy]carbazole is CC(C)(C)c1ccc(N2C=CN(c3cccc(Oc4ccc5c6ccccc6n(-c6nc7ccccc7[nH]6)c5c4)c3)C2)c(-c2ccccc2)c1.

What is the InChIKey of 9-(1H-benzimidazol-2-yl)-2-[3-[3-(4-tert-butyl-2-phenylphenyl)-2H-imidazol-1-yl]phenoxy]carbazole?

The InChIKey is LTYMOEXJQNFDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H37N5O/c1-44(2,3)31-20-23-40(37(26-31)30-12-5-4-6-13-30)48-25-24-47(29-48)32-14-11-15-33(27-32)50-34-21-22-36-35-16-7-10-19-41(35)49(42(36)28-34)43-45-38-17-8-9-18-39(38)46-43/h4-28H,29H2,1-3H3,(H,45,46).

What are the key properties of 9-(1H-benzimidazol-2-yl)-2-[3-[3-(4-tert-butyl-2-phenylphenyl)-2H-imidazol-1-yl]phenoxy]carbazole?

9-(1H-benzimidazol-2-yl)-2-[3-[3-(4-tert-butyl-2-phenylphenyl)-2H-imidazol-1-yl]phenoxy]carbazole has a molecular weight of 651.81 g/mol, XLogP of 11.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(1H-benzimidazol-2-yl)-2-[3-[3-(4-tert-butyl-2-phenylphenyl)-2H-imidazol-1-yl]phenoxy]carbazole is sourced from PubChem (CID 155652048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).