9-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-2-[2,3,4-trideuterio-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole

C59H48N4O — CID 168780284

About 9-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-2-[2,3,4-trideuterio-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole

9-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-2-[2,3,4-trideuterio-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole (PubChem CID 168780284) has the molecular formula C59H48N4O and a molecular weight of 835.10 g/mol. Its IUPAC name is 9-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-2-[2,3,4-trideuterio-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole.

Molecular Properties

• Compound Name: 9-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-2-[2,3,4-trideuterio-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
• PubChem CID: 168780284
• Molecular Formula: C59H48N4O
• Molecular Weight: 835.10 g/mol
• Exact Mass: 834.42
• IUPAC Name: 9-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-2-[2,3,4-trideuterio-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
• SMILES: [2H]c1c(Oc2ccc3c4ccccc4n(-c4cc(C([2H])([2H])[2H])c(-c5ccc(C(C)(C)C)cc5)cn4)c3c2)cc(N2CN(c3c(-c4ccccc4)cccc3-c3ccccc3)c3ccccc32)c([2H])c1[2H]
• InChI: InChI=1S/C59H48N4O/c1-40-35-57(60-38-52(40)43-29-31-44(32-30-43)59(2,3)4)63-53-26-12-11-23-50(53)51-34-33-47(37-56(51)63)64-46-22-15-21-45(36-46)61-39-62(55-28-14-13-27-54(55)61)58-48(41-17-7-5-8-18-41)24-16-25-49(58)42-19-9-6-10-20-42/h5-38H,39H2,1-4H3/i1D3,15D,21D,22D
• InChIKey: KXQZITQJWITXQY-NASZWWSSSA-N
• XLogP: 15.83
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	835.10
LogP ≤ 5	15.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-2-[2,3,4-trideuterio-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole?

The IUPAC name of 9-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-2-[2,3,4-trideuterio-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole (CID 168780284) is 9-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-2-[2,3,4-trideuterio-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole.

What is the SMILES notation for 9-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-2-[2,3,4-trideuterio-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole?

The canonical SMILES for 9-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-2-[2,3,4-trideuterio-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole is [2H]c1c(Oc2ccc3c4ccccc4n(-c4cc(C([2H])([2H])[2H])c(-c5ccc(C(C)(C)C)cc5)cn4)c3c2)cc(N2CN(c3c(-c4ccccc4)cccc3-c3ccccc3)c3ccccc32)c([2H])c1[2H].

What is the InChIKey of 9-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-2-[2,3,4-trideuterio-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole?

The InChIKey is KXQZITQJWITXQY-NASZWWSSSA-N. The full InChI is InChI=1S/C59H48N4O/c1-40-35-57(60-38-52(40)43-29-31-44(32-30-43)59(2,3)4)63-53-26-12-11-23-50(53)51-34-33-47(37-56(51)63)64-46-22-15-21-45(36-46)61-39-62(55-28-14-13-27-54(55)61)58-48(41-17-7-5-8-18-41)24-16-25-49(58)42-19-9-6-10-20-42/h5-38H,39H2,1-4H3/i1D3,15D,21D,22D.

What are the key properties of 9-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-2-[2,3,4-trideuterio-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole?

9-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-2-[2,3,4-trideuterio-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole has a molecular weight of 835.10 g/mol, XLogP of 15.83, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-2-[2,3,4-trideuterio-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole is sourced from PubChem (CID 168780284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).