N-(2,6-dimethylphenyl)-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]carbazol-2-amine

C₅₁H₄₉N₅ — CID 155622863

About N-(2,6-dimethylphenyl)-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]carbazol-2-amine

N-(2,6-dimethylphenyl)-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]carbazol-2-amine (PubChem CID 155622863) has the molecular formula C₅₁H₄₉N₅ and a molecular weight of 735.01 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]carbazol-2-amine.

Molecular Properties

• Compound Name: N-(2,6-dimethylphenyl)-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]carbazol-2-amine
• PubChem CID: 155622863
• Molecular Formula: C₅₁H₄₉N₅
• Molecular Weight: 735.01 g/mol
• Exact Mass: 734.42
• IUPAC Name: N-(2,6-dimethylphenyl)-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]carbazol-2-amine
• SMILES: [2H]C([2H])([2H])N1CN(c2cccc(N(c3ccc4c5ccccc5n(-c5cc(-c6c(C(C)C)cccc6C(C)C)ccn5)c4c3)c3c(C)cccc3C)c2)c2ccccc21
• InChI: InChI=1S/C51H49N5/c1-33(2)41-20-14-21-42(34(3)4)50(41)37-27-28-52-49(29-37)56-45-22-9-8-19-43(45)44-26-25-40(31-48(44)56)55(51-35(5)15-12-16-36(51)6)39-18-13-17-38(30-39)54-32-53(7)46-23-10-11-24-47(46)54/h8-31,33-34H,32H2,1-7H3/i7D3
• InChIKey: CFCLLQQKKPIIPW-UKDQJQFQSA-N
• XLogP: 13.72
• TPSA: 27.54 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	735.01
LogP ≤ 5	13.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]carbazol-2-amine?

The IUPAC name of N-(2,6-dimethylphenyl)-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]carbazol-2-amine (CID 155622863) is N-(2,6-dimethylphenyl)-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]carbazol-2-amine.

What is the SMILES notation for N-(2,6-dimethylphenyl)-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]carbazol-2-amine?

The canonical SMILES for N-(2,6-dimethylphenyl)-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]carbazol-2-amine is [2H]C([2H])([2H])N1CN(c2cccc(N(c3ccc4c5ccccc5n(-c5cc(-c6c(C(C)C)cccc6C(C)C)ccn5)c4c3)c3c(C)cccc3C)c2)c2ccccc21.

What is the InChIKey of N-(2,6-dimethylphenyl)-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]carbazol-2-amine?

The InChIKey is CFCLLQQKKPIIPW-UKDQJQFQSA-N. The full InChI is InChI=1S/C51H49N5/c1-33(2)41-20-14-21-42(34(3)4)50(41)37-27-28-52-49(29-37)56-45-22-9-8-19-43(45)44-26-25-40(31-48(44)56)55(51-35(5)15-12-16-36(51)6)39-18-13-17-38(30-39)54-32-53(7)46-23-10-11-24-47(46)54/h8-31,33-34H,32H2,1-7H3/i7D3.

What are the key properties of N-(2,6-dimethylphenyl)-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]carbazol-2-amine?

N-(2,6-dimethylphenyl)-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]carbazol-2-amine has a molecular weight of 735.01 g/mol, XLogP of 13.72, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,6-dimethylphenyl)-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]carbazol-2-amine is sourced from PubChem (CID 155622863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155622863 — identifiers, structure, computed properties (public domain)

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