2-(4-methoxyphenyl)-5-[2-[3-[2-[6-(4-methoxyphenyl)-3-pyridinyl]phenyl]-5-[2-[6-(4-methylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine

C60H45N3O2 — CID 134179071

IUPAC2-(4-methoxyphenyl)-5-[2-[3-[2-[6-(4-methoxyphenyl)-3-pyridinyl]phenyl]-5-[2-[6-(4-methylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine
SMILESCOc1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccc(C)cc5)nc4)cc(-c4ccccc4-c4ccc(-c5ccc(OC)cc5)nc4)c3)cn2)cc1
InChIInChI=1S/C60H45N3O2/c1-40-16-18-41(19-17-40)58-31-24-44(37-61-58)52-10-4-7-13-55(52)47-34-48(56-14-8-5-11-53(56)45-25-32-59(62-38-45)42-20-27-50(64-2)28-21-42)36-49(35-47)57-15-9-6-12-54(57)46-26-33-60(63-39-46)43-22-29-51(65-3)30-23-43/h4-39H,1-3H3
InChIKeyULCJHGHDVHRAPC-UHFFFAOYSA-N
MW840.04 g/mol
LogP15.20
Rot. Bonds11

About 2-(4-methoxyphenyl)-5-[2-[3-[2-[6-(4-methoxyphenyl)-3-pyridinyl]phenyl]-5-[2-[6-(4-methylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine

2-(4-methoxyphenyl)-5-[2-[3-[2-[6-(4-methoxyphenyl)-3-pyridinyl]phenyl]-5-[2-[6-(4-methylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine (PubChem CID 134179071) has the molecular formula C60H45N3O2 and a molecular weight of 840.04 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-[2-[3-[2-[6-(4-methoxyphenyl)-3-pyridinyl]phenyl]-5-[2-[6-(4-methylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-[2-[3-[2-[6-(4-methoxyphenyl)-3-pyridinyl]phenyl]-5-[2-[6-(4-methylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine
PubChem CID134179071
Molecular FormulaC60H45N3O2
Molecular Weight840.04 g/mol
Exact Mass839.35
IUPAC Name2-(4-methoxyphenyl)-5-[2-[3-[2-[6-(4-methoxyphenyl)-3-pyridinyl]phenyl]-5-[2-[6-(4-methylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine
SMILESCOc1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccc(C)cc5)nc4)cc(-c4ccccc4-c4ccc(-c5ccc(OC)cc5)nc4)c3)cn2)cc1
InChIInChI=1S/C60H45N3O2/c1-40-16-18-41(19-17-40)58-31-24-44(37-61-58)52-10-4-7-13-55(52)47-34-48(56-14-8-5-11-53(56)45-25-32-59(62-38-45)42-20-27-50(64-2)28-21-42)36-49(35-47)57-15-9-6-12-54(57)46-26-33-60(63-39-46)43-22-29-51(65-3)30-23-43/h4-39H,1-3H3
InChIKeyULCJHGHDVHRAPC-UHFFFAOYSA-N
XLogP15.20
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.04
LogP ≤ 515.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-[2-[3-[2-[6-(4-methoxyphenyl)-3-pyridinyl]phenyl]-5-[2-[6-(4-methylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine?
The IUPAC name of 2-(4-methoxyphenyl)-5-[2-[3-[2-[6-(4-methoxyphenyl)-3-pyridinyl]phenyl]-5-[2-[6-(4-methylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine (CID 134179071) is 2-(4-methoxyphenyl)-5-[2-[3-[2-[6-(4-methoxyphenyl)-3-pyridinyl]phenyl]-5-[2-[6-(4-methylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-[2-[3-[2-[6-(4-methoxyphenyl)-3-pyridinyl]phenyl]-5-[2-[6-(4-methylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine?
The canonical SMILES for 2-(4-methoxyphenyl)-5-[2-[3-[2-[6-(4-methoxyphenyl)-3-pyridinyl]phenyl]-5-[2-[6-(4-methylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine is COc1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccc(C)cc5)nc4)cc(-c4ccccc4-c4ccc(-c5ccc(OC)cc5)nc4)c3)cn2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-[2-[3-[2-[6-(4-methoxyphenyl)-3-pyridinyl]phenyl]-5-[2-[6-(4-methylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine?
The InChIKey is ULCJHGHDVHRAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H45N3O2/c1-40-16-18-41(19-17-40)58-31-24-44(37-61-58)52-10-4-7-13-55(52)47-34-48(56-14-8-5-11-53(56)45-25-32-59(62-38-45)42-20-27-50(64-2)28-21-42)36-49(35-47)57-15-9-6-12-54(57)46-26-33-60(63-39-46)43-22-29-51(65-3)30-23-43/h4-39H,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-5-[2-[3-[2-[6-(4-methoxyphenyl)-3-pyridinyl]phenyl]-5-[2-[6-(4-methylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine?
2-(4-methoxyphenyl)-5-[2-[3-[2-[6-(4-methoxyphenyl)-3-pyridinyl]phenyl]-5-[2-[6-(4-methylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine has a molecular weight of 840.04 g/mol, XLogP of 15.20, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-[2-[3-[2-[6-(4-methoxyphenyl)-3-pyridinyl]phenyl]-5-[2-[6-(4-methylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine is sourced from PubChem (CID 134179071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).