2-[3-[3-(3-tert-butylphenyl)-6-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole

C59H56N4O — CID 160849063

About 2-[3-[3-(3-tert-butylphenyl)-6-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole

2-[3-[3-(3-tert-butylphenyl)-6-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole (PubChem CID 160849063) has the molecular formula C59H56N4O and a molecular weight of 837.12 g/mol. Its IUPAC name is 2-[3-[3-(3-tert-butylphenyl)-6-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole.

Molecular Properties

• Compound Name: 2-[3-[3-(3-tert-butylphenyl)-6-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole
• PubChem CID: 160849063
• Molecular Formula: C59H56N4O
• Molecular Weight: 837.12 g/mol
• Exact Mass: 836.45
• IUPAC Name: 2-[3-[3-(3-tert-butylphenyl)-6-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole
• SMILES: CC(C)(C)c1cccc(N2CN(c3cccc(Oc4ccc5c6cc(-c7ccccc7)ccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)c3)c3cc(C(C)(C)c4ccccc4)ccc32)c1
• InChI: InChI=1S/C59H56N4O/c1-57(2,3)43-21-15-22-46(34-43)61-39-62(55-35-45(26-30-53(55)61)59(7,8)42-19-13-10-14-20-42)47-23-16-24-48(37-47)64-49-27-28-50-51-33-41(40-17-11-9-12-18-40)25-29-52(51)63(54(50)38-49)56-36-44(31-32-60-56)58(4,5)6/h9-38H,39H2,1-8H3
• InChIKey: YGPDKYCDEXRAJM-UHFFFAOYSA-N
• XLogP: 15.81
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	837.12
LogP ≤ 5	15.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(3-tert-butylphenyl)-6-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole?

The IUPAC name of 2-[3-[3-(3-tert-butylphenyl)-6-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole (CID 160849063) is 2-[3-[3-(3-tert-butylphenyl)-6-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole.

What is the SMILES notation for 2-[3-[3-(3-tert-butylphenyl)-6-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole?

The canonical SMILES for 2-[3-[3-(3-tert-butylphenyl)-6-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole is CC(C)(C)c1cccc(N2CN(c3cccc(Oc4ccc5c6cc(-c7ccccc7)ccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)c3)c3cc(C(C)(C)c4ccccc4)ccc32)c1.

What is the InChIKey of 2-[3-[3-(3-tert-butylphenyl)-6-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole?

The InChIKey is YGPDKYCDEXRAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H56N4O/c1-57(2,3)43-21-15-22-46(34-43)61-39-62(55-35-45(26-30-53(55)61)59(7,8)42-19-13-10-14-20-42)47-23-16-24-48(37-47)64-49-27-28-50-51-33-41(40-17-11-9-12-18-40)25-29-52(51)63(54(50)38-49)56-36-44(31-32-60-56)58(4,5)6/h9-38H,39H2,1-8H3.

What are the key properties of 2-[3-[3-(3-tert-butylphenyl)-6-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole?

2-[3-[3-(3-tert-butylphenyl)-6-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole has a molecular weight of 837.12 g/mol, XLogP of 15.81, 8 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-butylphenyl)-6-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole is sourced from PubChem (CID 160849063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).