4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyridine

C64H62N4 — CID 146184057

About 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyridine

4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyridine (PubChem CID 146184057) has the molecular formula C64H62N4 and a molecular weight of 887.23 g/mol. Its IUPAC name is 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyridine.

Molecular Properties

• Compound Name: 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyridine
• PubChem CID: 146184057
• Molecular Formula: C64H62N4
• Molecular Weight: 887.23 g/mol
• Exact Mass: 886.50
• IUPAC Name: 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyridine
• SMILES: Cn1ccnc1-c1ccc(-c2ccccc2C2CC(c3ccccc3-c3ccc(-c4cc(C(C)(C)C)ccn4)cc3)CC(c3ccccc3-c3ccc(-c4cc(C(C)(C)C)ccn4)cc3)C2)cc1
• InChI: InChI=1S/C64H62N4/c1-63(2,3)52-32-34-65-60(41-52)46-26-20-43(21-27-46)54-14-8-11-17-57(54)49-38-50(40-51(39-49)59-19-13-10-16-56(59)45-24-30-48(31-25-45)62-67-36-37-68(62)7)58-18-12-9-15-55(58)44-22-28-47(29-23-44)61-42-53(33-35-66-61)64(4,5)6/h8-37,41-42,49-51H,38-40H2,1-7H3
• InChIKey: ZGVNFAOFUOOLRC-UHFFFAOYSA-N
• XLogP: 16.64
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	887.23
LogP ≤ 5	16.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyridine?

The IUPAC name of 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyridine (CID 146184057) is 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyridine.

What is the SMILES notation for 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyridine?

The canonical SMILES for 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyridine is Cn1ccnc1-c1ccc(-c2ccccc2C2CC(c3ccccc3-c3ccc(-c4cc(C(C)(C)C)ccn4)cc3)CC(c3ccccc3-c3ccc(-c4cc(C(C)(C)C)ccn4)cc3)C2)cc1.

What is the InChIKey of 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyridine?

The InChIKey is ZGVNFAOFUOOLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H62N4/c1-63(2,3)52-32-34-65-60(41-52)46-26-20-43(21-27-46)54-14-8-11-17-57(54)49-38-50(40-51(39-49)59-19-13-10-16-56(59)45-24-30-48(31-25-45)62-67-36-37-68(62)7)58-18-12-9-15-55(58)44-22-28-47(29-23-44)61-42-53(33-35-66-61)64(4,5)6/h8-37,41-42,49-51H,38-40H2,1-7H3.

What are the key properties of 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyridine?

4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyridine has a molecular weight of 887.23 g/mol, XLogP of 16.64, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyridine is sourced from PubChem (CID 146184057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).