2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-7-(2,4,6-trimethylphenyl)carbazole

C59H56N4O — CID 155652710

About 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-7-(2,4,6-trimethylphenyl)carbazole

2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-7-(2,4,6-trimethylphenyl)carbazole (PubChem CID 155652710) has the molecular formula C59H56N4O and a molecular weight of 837.12 g/mol. Its IUPAC name is 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-7-(2,4,6-trimethylphenyl)carbazole.

Molecular Properties

• Compound Name: 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-7-(2,4,6-trimethylphenyl)carbazole
• PubChem CID: 155652710
• Molecular Formula: C59H56N4O
• Molecular Weight: 837.12 g/mol
• Exact Mass: 836.45
• IUPAC Name: 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-7-(2,4,6-trimethylphenyl)carbazole
• SMILES: Cc1cc(C)c(-c2ccc3c4ccc(Oc5cccc(N6CN(c7cc(-c8ccccc8)cc(C(C)(C)C)c7)c7ccccc76)c5)cc4n(-c4cc(C(C)(C)C)ccn4)c3c2)c(C)c1
• InChI: InChI=1S/C59H56N4O/c1-38-28-39(2)57(40(3)29-38)42-22-24-50-51-25-23-49(36-55(51)63(54(50)32-42)56-34-44(26-27-60-56)58(4,5)6)64-48-19-15-18-46(35-48)61-37-62(53-21-14-13-20-52(53)61)47-31-43(41-16-11-10-12-17-41)30-45(33-47)59(7,8)9/h10-36H,37H2,1-9H3
• InChIKey: RMNOMQPWINQGOB-UHFFFAOYSA-N
• XLogP: 16.07
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	837.12
LogP ≤ 5	16.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-7-(2,4,6-trimethylphenyl)carbazole?

The IUPAC name of 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-7-(2,4,6-trimethylphenyl)carbazole (CID 155652710) is 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-7-(2,4,6-trimethylphenyl)carbazole.

What is the SMILES notation for 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-7-(2,4,6-trimethylphenyl)carbazole?

The canonical SMILES for 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-7-(2,4,6-trimethylphenyl)carbazole is Cc1cc(C)c(-c2ccc3c4ccc(Oc5cccc(N6CN(c7cc(-c8ccccc8)cc(C(C)(C)C)c7)c7ccccc76)c5)cc4n(-c4cc(C(C)(C)C)ccn4)c3c2)c(C)c1.

What is the InChIKey of 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-7-(2,4,6-trimethylphenyl)carbazole?

The InChIKey is RMNOMQPWINQGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H56N4O/c1-38-28-39(2)57(40(3)29-38)42-22-24-50-51-25-23-49(36-55(51)63(54(50)32-42)56-34-44(26-27-60-56)58(4,5)6)64-48-19-15-18-46(35-48)61-37-62(53-21-14-13-20-52(53)61)47-31-43(41-16-11-10-12-17-41)30-45(33-47)59(7,8)9/h10-36H,37H2,1-9H3.

What are the key properties of 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-7-(2,4,6-trimethylphenyl)carbazole?

2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-7-(2,4,6-trimethylphenyl)carbazole has a molecular weight of 837.12 g/mol, XLogP of 16.07, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-7-(2,4,6-trimethylphenyl)carbazole is sourced from PubChem (CID 155652710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).