2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-5-(5-methyl-2-pyridinyl)phenol

C58H41N3O — CID 166806244

IUPAC2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-5-(5-methyl-2-pyridinyl)phenol
SMILESCc1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4)cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4)c3)c(O)c2)nc1
InChIInChI=1S/C58H41N3O/c1-39-20-31-57(61-38-39)44-29-30-54(58(62)37-44)53-17-7-6-16-52(53)47-35-45(50-14-4-2-12-48(50)40-21-25-42(26-22-40)55-18-8-10-32-59-55)34-46(36-47)51-15-5-3-13-49(51)41-23-27-43(28-24-41)56-19-9-11-33-60-56/h2-38,62H,1H3
InChIKeyMMXYXHFKPQFKFN-UHFFFAOYSA-N
MW795.99 g/mol
LogP14.89
Rot. Bonds9

About 2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-5-(5-methyl-2-pyridinyl)phenol

2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-5-(5-methyl-2-pyridinyl)phenol (PubChem CID 166806244) has the molecular formula C58H41N3O and a molecular weight of 795.99 g/mol. Its IUPAC name is 2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-5-(5-methyl-2-pyridinyl)phenol.

Molecular Properties

Compound Name2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-5-(5-methyl-2-pyridinyl)phenol
PubChem CID166806244
Molecular FormulaC58H41N3O
Molecular Weight795.99 g/mol
Exact Mass795.32
IUPAC Name2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-5-(5-methyl-2-pyridinyl)phenol
SMILESCc1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4)cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4)c3)c(O)c2)nc1
InChIInChI=1S/C58H41N3O/c1-39-20-31-57(61-38-39)44-29-30-54(58(62)37-44)53-17-7-6-16-52(53)47-35-45(50-14-4-2-12-48(50)40-21-25-42(26-22-40)55-18-8-10-32-59-55)34-46(36-47)51-15-5-3-13-49(51)41-23-27-43(28-24-41)56-19-9-11-33-60-56/h2-38,62H,1H3
InChIKeyMMXYXHFKPQFKFN-UHFFFAOYSA-N
XLogP14.89
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.99
LogP ≤ 514.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-5-(5-methyl-2-pyridinyl)phenol?
The IUPAC name of 2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-5-(5-methyl-2-pyridinyl)phenol (CID 166806244) is 2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-5-(5-methyl-2-pyridinyl)phenol.
What is the SMILES notation for 2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-5-(5-methyl-2-pyridinyl)phenol?
The canonical SMILES for 2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-5-(5-methyl-2-pyridinyl)phenol is Cc1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4)cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4)c3)c(O)c2)nc1.
What is the InChIKey of 2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-5-(5-methyl-2-pyridinyl)phenol?
The InChIKey is MMXYXHFKPQFKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41N3O/c1-39-20-31-57(61-38-39)44-29-30-54(58(62)37-44)53-17-7-6-16-52(53)47-35-45(50-14-4-2-12-48(50)40-21-25-42(26-22-40)55-18-8-10-32-59-55)34-46(36-47)51-15-5-3-13-49(51)41-23-27-43(28-24-41)56-19-9-11-33-60-56/h2-38,62H,1H3.
What are the key properties of 2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-5-(5-methyl-2-pyridinyl)phenol?
2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-5-(5-methyl-2-pyridinyl)phenol has a molecular weight of 795.99 g/mol, XLogP of 14.89, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-5-(5-methyl-2-pyridinyl)phenol is sourced from PubChem (CID 166806244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).