2-[4-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-methoxyphenyl]phenyl]phenyl]-4-methyl-5-phenylpyridine;ethane

C58H52N2O — CID 142521070

IUPAC2-[4-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-methoxyphenyl]phenyl]phenyl]-4-methyl-5-phenylpyridine;ethane
SMILESCC.CC.COc1cc(-c2ccccc2-c2ccc(-c3cc(C)c(-c4ccccc4)cn3)cc2)cc(-c2ccccc2-c2cnc(-c3ccccc3)cc2-c2ccccc2)c1
InChIInChI=1S/C54H40N2O.2C2H6/c1-37-30-53(55-35-51(37)39-18-8-4-9-19-39)42-28-26-40(27-29-42)46-22-12-13-23-47(46)43-31-44(33-45(32-43)57-2)48-24-14-15-25-49(48)52-36-56-54(41-20-10-5-11-21-41)34-50(52)38-16-6-3-7-17-38;2*1-2/h3-36H,1-2H3;2*1-2H3
InChIKeyZBDLNQVGXCFOOS-UHFFFAOYSA-N
MW793.07 g/mol
LogP16.18
Rot. Bonds9

About 2-[4-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-methoxyphenyl]phenyl]phenyl]-4-methyl-5-phenylpyridine;ethane

2-[4-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-methoxyphenyl]phenyl]phenyl]-4-methyl-5-phenylpyridine;ethane (PubChem CID 142521070) has the molecular formula C58H52N2O and a molecular weight of 793.07 g/mol. Its IUPAC name is 2-[4-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-methoxyphenyl]phenyl]phenyl]-4-methyl-5-phenylpyridine;ethane.

Molecular Properties

Compound Name2-[4-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-methoxyphenyl]phenyl]phenyl]-4-methyl-5-phenylpyridine;ethane
PubChem CID142521070
Molecular FormulaC58H52N2O
Molecular Weight793.07 g/mol
Exact Mass792.41
IUPAC Name2-[4-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-methoxyphenyl]phenyl]phenyl]-4-methyl-5-phenylpyridine;ethane
SMILESCC.CC.COc1cc(-c2ccccc2-c2ccc(-c3cc(C)c(-c4ccccc4)cn3)cc2)cc(-c2ccccc2-c2cnc(-c3ccccc3)cc2-c2ccccc2)c1
InChIInChI=1S/C54H40N2O.2C2H6/c1-37-30-53(55-35-51(37)39-18-8-4-9-19-39)42-28-26-40(27-29-42)46-22-12-13-23-47(46)43-31-44(33-45(32-43)57-2)48-24-14-15-25-49(48)52-36-56-54(41-20-10-5-11-21-41)34-50(52)38-16-6-3-7-17-38;2*1-2/h3-36H,1-2H3;2*1-2H3
InChIKeyZBDLNQVGXCFOOS-UHFFFAOYSA-N
XLogP16.18
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.07
LogP ≤ 516.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-methoxyphenyl]phenyl]phenyl]-4-methyl-5-phenylpyridine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-methoxyphenyl]phenyl]phenyl]-4-methyl-5-phenylpyridine;ethane?
The IUPAC name of 2-[4-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-methoxyphenyl]phenyl]phenyl]-4-methyl-5-phenylpyridine;ethane (CID 142521070) is 2-[4-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-methoxyphenyl]phenyl]phenyl]-4-methyl-5-phenylpyridine;ethane.
What is the SMILES notation for 2-[4-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-methoxyphenyl]phenyl]phenyl]-4-methyl-5-phenylpyridine;ethane?
The canonical SMILES for 2-[4-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-methoxyphenyl]phenyl]phenyl]-4-methyl-5-phenylpyridine;ethane is CC.CC.COc1cc(-c2ccccc2-c2ccc(-c3cc(C)c(-c4ccccc4)cn3)cc2)cc(-c2ccccc2-c2cnc(-c3ccccc3)cc2-c2ccccc2)c1.
What is the InChIKey of 2-[4-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-methoxyphenyl]phenyl]phenyl]-4-methyl-5-phenylpyridine;ethane?
The InChIKey is ZBDLNQVGXCFOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H40N2O.2C2H6/c1-37-30-53(55-35-51(37)39-18-8-4-9-19-39)42-28-26-40(27-29-42)46-22-12-13-23-47(46)43-31-44(33-45(32-43)57-2)48-24-14-15-25-49(48)52-36-56-54(41-20-10-5-11-21-41)34-50(52)38-16-6-3-7-17-38;2*1-2/h3-36H,1-2H3;2*1-2H3.
What are the key properties of 2-[4-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-methoxyphenyl]phenyl]phenyl]-4-methyl-5-phenylpyridine;ethane?
2-[4-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-methoxyphenyl]phenyl]phenyl]-4-methyl-5-phenylpyridine;ethane has a molecular weight of 793.07 g/mol, XLogP of 16.18, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-methoxyphenyl]phenyl]phenyl]-4-methyl-5-phenylpyridine;ethane is sourced from PubChem (CID 142521070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).