2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(4-phenylfuro[2,3-b]indol-5-yl)-2-pyridinyl]phenyl]-2-pyridinyl]phenol

C52H45N3O2 — CID 168803371

About 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(4-phenylfuro[2,3-b]indol-5-yl)-2-pyridinyl]phenyl]-2-pyridinyl]phenol

2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(4-phenylfuro[2,3-b]indol-5-yl)-2-pyridinyl]phenyl]-2-pyridinyl]phenol (PubChem CID 168803371) has the molecular formula C52H45N3O2 and a molecular weight of 743.95 g/mol. Its IUPAC name is 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(4-phenylfuro[2,3-b]indol-5-yl)-2-pyridinyl]phenyl]-2-pyridinyl]phenol.

Molecular Properties

• Compound Name: 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(4-phenylfuro[2,3-b]indol-5-yl)-2-pyridinyl]phenyl]-2-pyridinyl]phenol
• PubChem CID: 168803371
• Molecular Formula: C52H45N3O2
• Molecular Weight: 743.95 g/mol
• Exact Mass: 743.35
• IUPAC Name: 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(4-phenylfuro[2,3-b]indol-5-yl)-2-pyridinyl]phenyl]-2-pyridinyl]phenol
• SMILES: CC(C)(C)c1cc(-c2cc(-c3cccc(-c4cc(-c5cccc6c7ccoc7n(-c7ccccc7)c56)ccn4)c3)nc(-c3ccccc3O)c2)cc(C(C)(C)C)c1
• InChI: InChI=1S/C52H45N3O2/c1-51(2,3)38-27-36(28-39(32-38)52(4,5)6)37-30-46(54-47(31-37)44-18-10-11-21-48(44)56)35-15-12-14-34(26-35)45-29-33(22-24-53-45)41-19-13-20-42-43-23-25-57-50(43)55(49(41)42)40-16-8-7-9-17-40/h7-32,56H,1-6H3
• InChIKey: FOLVKWUWSZRLTL-UHFFFAOYSA-N
• XLogP: 13.80
• TPSA: 64.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	743.95
LogP ≤ 5	13.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(4-phenylfuro[2,3-b]indol-5-yl)-2-pyridinyl]phenyl]-2-pyridinyl]phenol?

The IUPAC name of 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(4-phenylfuro[2,3-b]indol-5-yl)-2-pyridinyl]phenyl]-2-pyridinyl]phenol (CID 168803371) is 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(4-phenylfuro[2,3-b]indol-5-yl)-2-pyridinyl]phenyl]-2-pyridinyl]phenol.

What is the SMILES notation for 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(4-phenylfuro[2,3-b]indol-5-yl)-2-pyridinyl]phenyl]-2-pyridinyl]phenol?

The canonical SMILES for 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(4-phenylfuro[2,3-b]indol-5-yl)-2-pyridinyl]phenyl]-2-pyridinyl]phenol is CC(C)(C)c1cc(-c2cc(-c3cccc(-c4cc(-c5cccc6c7ccoc7n(-c7ccccc7)c56)ccn4)c3)nc(-c3ccccc3O)c2)cc(C(C)(C)C)c1.

What is the InChIKey of 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(4-phenylfuro[2,3-b]indol-5-yl)-2-pyridinyl]phenyl]-2-pyridinyl]phenol?

The InChIKey is FOLVKWUWSZRLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H45N3O2/c1-51(2,3)38-27-36(28-39(32-38)52(4,5)6)37-30-46(54-47(31-37)44-18-10-11-21-48(44)56)35-15-12-14-34(26-35)45-29-33(22-24-53-45)41-19-13-20-42-43-23-25-57-50(43)55(49(41)42)40-16-8-7-9-17-40/h7-32,56H,1-6H3.

What are the key properties of 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(4-phenylfuro[2,3-b]indol-5-yl)-2-pyridinyl]phenyl]-2-pyridinyl]phenol?

2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(4-phenylfuro[2,3-b]indol-5-yl)-2-pyridinyl]phenyl]-2-pyridinyl]phenol has a molecular weight of 743.95 g/mol, XLogP of 13.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(4-phenylfuro[2,3-b]indol-5-yl)-2-pyridinyl]phenyl]-2-pyridinyl]phenol is sourced from PubChem (CID 168803371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).