2-(5-methyl-2-pyridinyl)-5-[[4-[1,2,2-tris[4-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]phenyl]ethenyl]phenoxy]methyl]pyridine

C74H60N8O4 — CID 177490313

IUPAC2-(5-methyl-2-pyridinyl)-5-[[4-[1,2,2-tris[4-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]phenyl]ethenyl]phenoxy]methyl]pyridine
SMILESCc1ccc(-c2ccc(COc3ccc(C(=C(c4ccc(OCc5ccc(-c6ccc(C)cn6)nc5)cc4)c4ccc(OCc5ccc(-c6ccc(C)cn6)nc5)cc4)c4ccc(OCc5ccc(-c6ccc(C)cn6)nc5)cc4)cc3)cn2)nc1
InChIInChI=1S/C74H60N8O4/c1-49-5-29-65(75-37-49)69-33-9-53(41-79-69)45-83-61-21-13-57(14-22-61)73(58-15-23-62(24-16-58)84-46-54-10-34-70(80-42-54)66-30-6-50(2)38-76-66)74(59-17-25-63(26-18-59)85-47-55-11-35-71(81-43-55)67-31-7-51(3)39-77-67)60-19-27-64(28-20-60)86-48-56-12-36-72(82-44-56)68-32-8-52(4)40-78-68/h5-44H,45-48H2,1-4H3
InChIKeyGYIDIWOJQNVUTJ-UHFFFAOYSA-N
MW1125.35 g/mol
LogP16.07
Rot. Bonds20

About 2-(5-methyl-2-pyridinyl)-5-[[4-[1,2,2-tris[4-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]phenyl]ethenyl]phenoxy]methyl]pyridine

2-(5-methyl-2-pyridinyl)-5-[[4-[1,2,2-tris[4-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]phenyl]ethenyl]phenoxy]methyl]pyridine (PubChem CID 177490313) has the molecular formula C74H60N8O4 and a molecular weight of 1125.35 g/mol. Its IUPAC name is 2-(5-methyl-2-pyridinyl)-5-[[4-[1,2,2-tris[4-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]phenyl]ethenyl]phenoxy]methyl]pyridine.

Molecular Properties

Compound Name2-(5-methyl-2-pyridinyl)-5-[[4-[1,2,2-tris[4-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]phenyl]ethenyl]phenoxy]methyl]pyridine
PubChem CID177490313
Molecular FormulaC74H60N8O4
Molecular Weight1125.35 g/mol
Exact Mass1124.47
IUPAC Name2-(5-methyl-2-pyridinyl)-5-[[4-[1,2,2-tris[4-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]phenyl]ethenyl]phenoxy]methyl]pyridine
SMILESCc1ccc(-c2ccc(COc3ccc(C(=C(c4ccc(OCc5ccc(-c6ccc(C)cn6)nc5)cc4)c4ccc(OCc5ccc(-c6ccc(C)cn6)nc5)cc4)c4ccc(OCc5ccc(-c6ccc(C)cn6)nc5)cc4)cc3)cn2)nc1
InChIInChI=1S/C74H60N8O4/c1-49-5-29-65(75-37-49)69-33-9-53(41-79-69)45-83-61-21-13-57(14-22-61)73(58-15-23-62(24-16-58)84-46-54-10-34-70(80-42-54)66-30-6-50(2)38-76-66)74(59-17-25-63(26-18-59)85-47-55-11-35-71(81-43-55)67-31-7-51(3)39-77-67)60-19-27-64(28-20-60)86-48-56-12-36-72(82-44-56)68-32-8-52(4)40-78-68/h5-44H,45-48H2,1-4H3
InChIKeyGYIDIWOJQNVUTJ-UHFFFAOYSA-N
XLogP16.07
TPSA140.04 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001125.35
LogP ≤ 516.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 2-(5-methyl-2-pyridinyl)-5-[[4-[1,2,2-tris[4-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]phenyl]ethenyl]phenoxy]methyl]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
2-hydroxy-1-[4-[(4-methylphenyl)methoxy]phenyl]ethanone
CID 170162201
2-[2-[2-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]ethoxy]ethoxy]ethanamine
CID 102597171
2-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]benzaldehyde
CID 102347712
5-[(4-methylphenoxy)methyl]-2-(trifluoromethyl)pyridine
CID 59391394
5-[(4-methylphenoxy)methyl]-N-propylpyridin-2-amine
CID 62193904
N,N-dimethyl-4-[(4-methylphenoxy)methyl]benzamide
CID 86978503
1-methyl-4-[(4-methylphenoxy)methoxy]benzene;1-methyl-4-[(E)-2-(4-methylphenyl)-1,2-diphenylethenyl]benzene
CID 158021334
5-methyl-2-[2-[4-[4-[(4-methylphenoxy)methyl]phenyl]phenyl]ethyl]pyrimidine
CID 59265321
1-[4-[[4-[(4-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 10619405
1-(bromomethyl)-4-[(4-methylphenyl)methoxy]benzene
CID 22983698
(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone
CID 58133168

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-pyridinyl)-5-[[4-[1,2,2-tris[4-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]phenyl]ethenyl]phenoxy]methyl]pyridine?
The IUPAC name of 2-(5-methyl-2-pyridinyl)-5-[[4-[1,2,2-tris[4-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]phenyl]ethenyl]phenoxy]methyl]pyridine (CID 177490313) is 2-(5-methyl-2-pyridinyl)-5-[[4-[1,2,2-tris[4-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]phenyl]ethenyl]phenoxy]methyl]pyridine.
What is the SMILES notation for 2-(5-methyl-2-pyridinyl)-5-[[4-[1,2,2-tris[4-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]phenyl]ethenyl]phenoxy]methyl]pyridine?
The canonical SMILES for 2-(5-methyl-2-pyridinyl)-5-[[4-[1,2,2-tris[4-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]phenyl]ethenyl]phenoxy]methyl]pyridine is Cc1ccc(-c2ccc(COc3ccc(C(=C(c4ccc(OCc5ccc(-c6ccc(C)cn6)nc5)cc4)c4ccc(OCc5ccc(-c6ccc(C)cn6)nc5)cc4)c4ccc(OCc5ccc(-c6ccc(C)cn6)nc5)cc4)cc3)cn2)nc1.
What is the InChIKey of 2-(5-methyl-2-pyridinyl)-5-[[4-[1,2,2-tris[4-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]phenyl]ethenyl]phenoxy]methyl]pyridine?
The InChIKey is GYIDIWOJQNVUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H60N8O4/c1-49-5-29-65(75-37-49)69-33-9-53(41-79-69)45-83-61-21-13-57(14-22-61)73(58-15-23-62(24-16-58)84-46-54-10-34-70(80-42-54)66-30-6-50(2)38-76-66)74(59-17-25-63(26-18-59)85-47-55-11-35-71(81-43-55)67-31-7-51(3)39-77-67)60-19-27-64(28-20-60)86-48-56-12-36-72(82-44-56)68-32-8-52(4)40-78-68/h5-44H,45-48H2,1-4H3.
What are the key properties of 2-(5-methyl-2-pyridinyl)-5-[[4-[1,2,2-tris[4-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]phenyl]ethenyl]phenoxy]methyl]pyridine?
2-(5-methyl-2-pyridinyl)-5-[[4-[1,2,2-tris[4-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]phenyl]ethenyl]phenoxy]methyl]pyridine has a molecular weight of 1125.35 g/mol, XLogP of 16.07, 20 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-pyridinyl)-5-[[4-[1,2,2-tris[4-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]phenyl]ethenyl]phenoxy]methyl]pyridine is sourced from PubChem (CID 177490313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).