2-[2-methoxy-4-[2,4,5-tris(3-methoxy-4-pyridin-2-ylphenyl)phenyl]phenyl]pyridine

C54H42N4O4 — CID 71243186

IUPAC2-[2-methoxy-4-[2,4,5-tris(3-methoxy-4-pyridin-2-ylphenyl)phenyl]phenyl]pyridine
SMILESCOc1cc(-c2cc(-c3ccc(-c4ccccn4)c(OC)c3)c(-c3ccc(-c4ccccn4)c(OC)c3)cc2-c2ccc(-c3ccccn3)c(OC)c2)ccc1-c1ccccn1
InChIInChI=1S/C54H42N4O4/c1-59-51-29-35(17-21-39(51)47-13-5-9-25-55-47)43-33-45(37-19-23-41(53(31-37)61-3)49-15-7-11-27-57-49)46(38-20-24-42(54(32-38)62-4)50-16-8-12-28-58-50)34-44(43)36-18-22-40(52(30-36)60-2)48-14-6-10-26-56-48/h5-34H,1-4H3
InChIKeyWTVIOFCVSWJNQV-UHFFFAOYSA-N
MW810.95 g/mol
LogP12.64
Rot. Bonds12

About 2-[2-methoxy-4-[2,4,5-tris(3-methoxy-4-pyridin-2-ylphenyl)phenyl]phenyl]pyridine

2-[2-methoxy-4-[2,4,5-tris(3-methoxy-4-pyridin-2-ylphenyl)phenyl]phenyl]pyridine (PubChem CID 71243186) has the molecular formula C54H42N4O4 and a molecular weight of 810.95 g/mol. Its IUPAC name is 2-[2-methoxy-4-[2,4,5-tris(3-methoxy-4-pyridin-2-ylphenyl)phenyl]phenyl]pyridine.

Molecular Properties

Compound Name2-[2-methoxy-4-[2,4,5-tris(3-methoxy-4-pyridin-2-ylphenyl)phenyl]phenyl]pyridine
PubChem CID71243186
Molecular FormulaC54H42N4O4
Molecular Weight810.95 g/mol
Exact Mass810.32
IUPAC Name2-[2-methoxy-4-[2,4,5-tris(3-methoxy-4-pyridin-2-ylphenyl)phenyl]phenyl]pyridine
SMILESCOc1cc(-c2cc(-c3ccc(-c4ccccn4)c(OC)c3)c(-c3ccc(-c4ccccn4)c(OC)c3)cc2-c2ccc(-c3ccccn3)c(OC)c2)ccc1-c1ccccn1
InChIInChI=1S/C54H42N4O4/c1-59-51-29-35(17-21-39(51)47-13-5-9-25-55-47)43-33-45(37-19-23-41(53(31-37)61-3)49-15-7-11-27-57-49)46(38-20-24-42(54(32-38)62-4)50-16-8-12-28-58-50)34-44(43)36-18-22-40(52(30-36)60-2)48-14-6-10-26-56-48/h5-34H,1-4H3
InChIKeyWTVIOFCVSWJNQV-UHFFFAOYSA-N
XLogP12.64
TPSA88.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.95
LogP ≤ 512.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[2,4,5-tris(3-methoxy-4-pyridin-2-ylphenyl)phenyl]phenyl]pyridine?
The IUPAC name of 2-[2-methoxy-4-[2,4,5-tris(3-methoxy-4-pyridin-2-ylphenyl)phenyl]phenyl]pyridine (CID 71243186) is 2-[2-methoxy-4-[2,4,5-tris(3-methoxy-4-pyridin-2-ylphenyl)phenyl]phenyl]pyridine.
What is the SMILES notation for 2-[2-methoxy-4-[2,4,5-tris(3-methoxy-4-pyridin-2-ylphenyl)phenyl]phenyl]pyridine?
The canonical SMILES for 2-[2-methoxy-4-[2,4,5-tris(3-methoxy-4-pyridin-2-ylphenyl)phenyl]phenyl]pyridine is COc1cc(-c2cc(-c3ccc(-c4ccccn4)c(OC)c3)c(-c3ccc(-c4ccccn4)c(OC)c3)cc2-c2ccc(-c3ccccn3)c(OC)c2)ccc1-c1ccccn1.
What is the InChIKey of 2-[2-methoxy-4-[2,4,5-tris(3-methoxy-4-pyridin-2-ylphenyl)phenyl]phenyl]pyridine?
The InChIKey is WTVIOFCVSWJNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H42N4O4/c1-59-51-29-35(17-21-39(51)47-13-5-9-25-55-47)43-33-45(37-19-23-41(53(31-37)61-3)49-15-7-11-27-57-49)46(38-20-24-42(54(32-38)62-4)50-16-8-12-28-58-50)34-44(43)36-18-22-40(52(30-36)60-2)48-14-6-10-26-56-48/h5-34H,1-4H3.
What are the key properties of 2-[2-methoxy-4-[2,4,5-tris(3-methoxy-4-pyridin-2-ylphenyl)phenyl]phenyl]pyridine?
2-[2-methoxy-4-[2,4,5-tris(3-methoxy-4-pyridin-2-ylphenyl)phenyl]phenyl]pyridine has a molecular weight of 810.95 g/mol, XLogP of 12.64, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[2,4,5-tris(3-methoxy-4-pyridin-2-ylphenyl)phenyl]phenyl]pyridine is sourced from PubChem (CID 71243186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).