9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[9-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]fluoren-9-yl]carbazole

C52H40N4 — CID 167401170

About 9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[9-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]fluoren-9-yl]carbazole

9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[9-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]fluoren-9-yl]carbazole (PubChem CID 167401170) has the molecular formula C52H40N4 and a molecular weight of 723.94 g/mol. Its IUPAC name is 9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[9-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]fluoren-9-yl]carbazole.

Molecular Properties

• Compound Name: 9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[9-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]fluoren-9-yl]carbazole
• PubChem CID: 167401170
• Molecular Formula: C52H40N4
• Molecular Weight: 723.94 g/mol
• Exact Mass: 723.34
• IUPAC Name: 9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[9-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]fluoren-9-yl]carbazole
• SMILES: [2H]C([2H])([2H])N1CN(c2cccc(C3(c4ccc5c6ccccc6n(-c6cc(-c7c(C)cccc7C)ccn6)c5c4)c4ccccc4-c4ccccc43)c2)c2ccccc21
• InChI: InChI=1S/C52H40N4/c1-34-14-12-15-35(2)51(34)36-28-29-53-50(30-36)56-46-23-9-6-20-42(46)43-27-26-38(32-49(43)56)52(44-21-7-4-18-40(44)41-19-5-8-22-45(41)52)37-16-13-17-39(31-37)55-33-54(3)47-24-10-11-25-48(47)55/h4-32H,33H2,1-3H3/i3D3
• InChIKey: DCOWOVONEHEASW-HPRDVNIFSA-N
• XLogP: 12.37
• TPSA: 24.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	723.94
LogP ≤ 5	12.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[9-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]fluoren-9-yl]carbazole?

The IUPAC name of 9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[9-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]fluoren-9-yl]carbazole (CID 167401170) is 9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[9-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]fluoren-9-yl]carbazole.

What is the SMILES notation for 9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[9-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]fluoren-9-yl]carbazole?

The canonical SMILES for 9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[9-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]fluoren-9-yl]carbazole is [2H]C([2H])([2H])N1CN(c2cccc(C3(c4ccc5c6ccccc6n(-c6cc(-c7c(C)cccc7C)ccn6)c5c4)c4ccccc4-c4ccccc43)c2)c2ccccc21.

What is the InChIKey of 9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[9-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]fluoren-9-yl]carbazole?

The InChIKey is DCOWOVONEHEASW-HPRDVNIFSA-N. The full InChI is InChI=1S/C52H40N4/c1-34-14-12-15-35(2)51(34)36-28-29-53-50(30-36)56-46-23-9-6-20-42(46)43-27-26-38(32-49(43)56)52(44-21-7-4-18-40(44)41-19-5-8-22-45(41)52)37-16-13-17-39(31-37)55-33-54(3)47-24-10-11-25-48(47)55/h4-32H,33H2,1-3H3/i3D3.

What are the key properties of 9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[9-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]fluoren-9-yl]carbazole?

9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[9-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]fluoren-9-yl]carbazole has a molecular weight of 723.94 g/mol, XLogP of 12.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[9-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]fluoren-9-yl]carbazole is sourced from PubChem (CID 167401170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).