9-(4-tert-butyl-2-pyridinyl)-2-[3-[5-tert-butyl-3-[3-(2,3,3-trimethylbutan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole

C51H56N4O — CID 155650892

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-[5-tert-butyl-3-[3-(2,3,3-trimethylbutan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole

9-(4-tert-butyl-2-pyridinyl)-2-[3-[5-tert-butyl-3-[3-(2,3,3-trimethylbutan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole (PubChem CID 155650892) has the molecular formula C51H56N4O and a molecular weight of 741.04 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[5-tert-butyl-3-[3-(2,3,3-trimethylbutan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[5-tert-butyl-3-[3-(2,3,3-trimethylbutan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
• PubChem CID: 155650892
• Molecular Formula: C51H56N4O
• Molecular Weight: 741.04 g/mol
• Exact Mass: 740.45
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[5-tert-butyl-3-[3-(2,3,3-trimethylbutan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
• SMILES: CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(N5CN(c6cccc(C(C)(C)C(C)(C)C)c6)c6cc(C(C)(C)C)ccc65)c4)cc32)c1
• InChI: InChI=1S/C51H56N4O/c1-48(2,3)34-22-25-44-46(29-34)54(37-17-14-16-36(28-37)51(10,11)50(7,8)9)33-53(44)38-18-15-19-39(31-38)56-40-23-24-42-41-20-12-13-21-43(41)55(45(42)32-40)47-30-35(26-27-52-47)49(4,5)6/h12-32H,33H2,1-11H3
• InChIKey: QYJBJZVEEJLZPR-UHFFFAOYSA-N
• XLogP: 14.14
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	741.04
LogP ≤ 5	14.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[5-tert-butyl-3-[3-(2,3,3-trimethylbutan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[5-tert-butyl-3-[3-(2,3,3-trimethylbutan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole (CID 155650892) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[5-tert-butyl-3-[3-(2,3,3-trimethylbutan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole.

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[5-tert-butyl-3-[3-(2,3,3-trimethylbutan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[5-tert-butyl-3-[3-(2,3,3-trimethylbutan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole is CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(N5CN(c6cccc(C(C)(C)C(C)(C)C)c6)c6cc(C(C)(C)C)ccc65)c4)cc32)c1.

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[5-tert-butyl-3-[3-(2,3,3-trimethylbutan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole?

The InChIKey is QYJBJZVEEJLZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H56N4O/c1-48(2,3)34-22-25-44-46(29-34)54(37-17-14-16-36(28-37)51(10,11)50(7,8)9)33-53(44)38-18-15-19-39(31-38)56-40-23-24-42-41-20-12-13-21-43(41)55(45(42)32-40)47-30-35(26-27-52-47)49(4,5)6/h12-32H,33H2,1-11H3.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[5-tert-butyl-3-[3-(2,3,3-trimethylbutan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole?

9-(4-tert-butyl-2-pyridinyl)-2-[3-[5-tert-butyl-3-[3-(2,3,3-trimethylbutan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole has a molecular weight of 741.04 g/mol, XLogP of 14.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[5-tert-butyl-3-[3-(2,3,3-trimethylbutan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole is sourced from PubChem (CID 155650892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).