9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]propan-2-yl]carbazole

C38H38N4 — CID 167382027

About 9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]propan-2-yl]carbazole

9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]propan-2-yl]carbazole (PubChem CID 167382027) has the molecular formula C38H38N4 and a molecular weight of 553.77 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]propan-2-yl]carbazole.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]propan-2-yl]carbazole
• PubChem CID: 167382027
• Molecular Formula: C38H38N4
• Molecular Weight: 553.77 g/mol
• Exact Mass: 553.33
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]propan-2-yl]carbazole
• SMILES: [2H]C([2H])([2H])N1CN(c2cccc(C(C)(C)c3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)c2ccccc21
• InChI: InChI=1S/C38H38N4/c1-37(2,3)26-20-21-39-36(24-26)42-32-15-8-7-14-30(32)31-19-18-28(23-35(31)42)38(4,5)27-12-11-13-29(22-27)41-25-40(6)33-16-9-10-17-34(33)41/h7-24H,25H2,1-6H3/i6D3
• InChIKey: LOYBHTLTRHCXKE-UNLAWSRZSA-N
• XLogP: 9.35
• TPSA: 24.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	553.77
LogP ≤ 5	9.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]propan-2-yl]carbazole (CID 167382027) is 9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]propan-2-yl]carbazole.

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

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]propan-2-yl]carbazole is [2H]C([2H])([2H])N1CN(c2cccc(C(C)(C)c3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)c2ccccc21.

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

The InChIKey is LOYBHTLTRHCXKE-UNLAWSRZSA-N. The full InChI is InChI=1S/C38H38N4/c1-37(2,3)26-20-21-39-36(24-26)42-32-15-8-7-14-30(32)31-19-18-28(23-35(31)42)38(4,5)27-12-11-13-29(22-27)41-25-40(6)33-16-9-10-17-34(33)41/h7-24H,25H2,1-6H3/i6D3.

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

9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]propan-2-yl]carbazole has a molecular weight of 553.77 g/mol, XLogP of 9.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]propan-2-yl]carbazole is sourced from PubChem (CID 167382027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).