2-[6-[3-[4-(4-benzylphenyl)-2-pyridinyl]-5-phenylphenyl]-4-(2,2-dimethylpropyl)-2-pyridinyl]-4,6-ditert-butylphenol

C54H56N2O — CID 164743090

About 2-[6-[3-[4-(4-benzylphenyl)-2-pyridinyl]-5-phenylphenyl]-4-(2,2-dimethylpropyl)-2-pyridinyl]-4,6-ditert-butylphenol

2-[6-[3-[4-(4-benzylphenyl)-2-pyridinyl]-5-phenylphenyl]-4-(2,2-dimethylpropyl)-2-pyridinyl]-4,6-ditert-butylphenol (PubChem CID 164743090) has the molecular formula C54H56N2O and a molecular weight of 749.06 g/mol. Its IUPAC name is 2-[6-[3-[4-(4-benzylphenyl)-2-pyridinyl]-5-phenylphenyl]-4-(2,2-dimethylpropyl)-2-pyridinyl]-4,6-ditert-butylphenol.

Molecular Properties

• Compound Name: 2-[6-[3-[4-(4-benzylphenyl)-2-pyridinyl]-5-phenylphenyl]-4-(2,2-dimethylpropyl)-2-pyridinyl]-4,6-ditert-butylphenol
• PubChem CID: 164743090
• Molecular Formula: C54H56N2O
• Molecular Weight: 749.06 g/mol
• Exact Mass: 748.44
• IUPAC Name: 2-[6-[3-[4-(4-benzylphenyl)-2-pyridinyl]-5-phenylphenyl]-4-(2,2-dimethylpropyl)-2-pyridinyl]-4,6-ditert-butylphenol
• SMILES: CC(C)(C)Cc1cc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccc(Cc5ccccc5)cc4)ccn3)c2)nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c1
• InChI: InChI=1S/C54H56N2O/c1-52(2,3)35-38-27-49(56-50(28-38)46-33-45(53(4,5)6)34-47(51(46)57)54(7,8)9)44-30-42(39-18-14-11-15-19-39)29-43(31-44)48-32-41(24-25-55-48)40-22-20-37(21-23-40)26-36-16-12-10-13-17-36/h10-25,27-34,57H,26,35H2,1-9H3
• InChIKey: ZVQVWXTXBBONAP-UHFFFAOYSA-N
• XLogP: 14.29
• TPSA: 46.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	749.06
LogP ≤ 5	14.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-[4-(4-benzylphenyl)-2-pyridinyl]-5-phenylphenyl]-4-(2,2-dimethylpropyl)-2-pyridinyl]-4,6-ditert-butylphenol?

The IUPAC name of 2-[6-[3-[4-(4-benzylphenyl)-2-pyridinyl]-5-phenylphenyl]-4-(2,2-dimethylpropyl)-2-pyridinyl]-4,6-ditert-butylphenol (CID 164743090) is 2-[6-[3-[4-(4-benzylphenyl)-2-pyridinyl]-5-phenylphenyl]-4-(2,2-dimethylpropyl)-2-pyridinyl]-4,6-ditert-butylphenol.

What is the SMILES notation for 2-[6-[3-[4-(4-benzylphenyl)-2-pyridinyl]-5-phenylphenyl]-4-(2,2-dimethylpropyl)-2-pyridinyl]-4,6-ditert-butylphenol?

The canonical SMILES for 2-[6-[3-[4-(4-benzylphenyl)-2-pyridinyl]-5-phenylphenyl]-4-(2,2-dimethylpropyl)-2-pyridinyl]-4,6-ditert-butylphenol is CC(C)(C)Cc1cc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccc(Cc5ccccc5)cc4)ccn3)c2)nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c1.

What is the InChIKey of 2-[6-[3-[4-(4-benzylphenyl)-2-pyridinyl]-5-phenylphenyl]-4-(2,2-dimethylpropyl)-2-pyridinyl]-4,6-ditert-butylphenol?

The InChIKey is ZVQVWXTXBBONAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H56N2O/c1-52(2,3)35-38-27-49(56-50(28-38)46-33-45(53(4,5)6)34-47(51(46)57)54(7,8)9)44-30-42(39-18-14-11-15-19-39)29-43(31-44)48-32-41(24-25-55-48)40-22-20-37(21-23-40)26-36-16-12-10-13-17-36/h10-25,27-34,57H,26,35H2,1-9H3.

What are the key properties of 2-[6-[3-[4-(4-benzylphenyl)-2-pyridinyl]-5-phenylphenyl]-4-(2,2-dimethylpropyl)-2-pyridinyl]-4,6-ditert-butylphenol?

2-[6-[3-[4-(4-benzylphenyl)-2-pyridinyl]-5-phenylphenyl]-4-(2,2-dimethylpropyl)-2-pyridinyl]-4,6-ditert-butylphenol has a molecular weight of 749.06 g/mol, XLogP of 14.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[3-[4-(4-benzylphenyl)-2-pyridinyl]-5-phenylphenyl]-4-(2,2-dimethylpropyl)-2-pyridinyl]-4,6-ditert-butylphenol is sourced from PubChem (CID 164743090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).