5-[3-[4-[3,5-bis(6-methyl-3-pyridinyl)phenyl]-2,5-bis(2-methylphenyl)phenyl]-5-(6-methyl-3-pyridinyl)phenyl]-2-methylpyridine

C56H46N4 — CID 68614371

IUPAC5-[3-[4-[3,5-bis(6-methyl-3-pyridinyl)phenyl]-2,5-bis(2-methylphenyl)phenyl]-5-(6-methyl-3-pyridinyl)phenyl]-2-methylpyridine
SMILESCc1ccc(-c2cc(-c3ccc(C)nc3)cc(-c3cc(-c4ccccc4C)c(-c4cc(-c5ccc(C)nc5)cc(-c5ccc(C)nc5)c4)cc3-c3ccccc3C)c2)cn1
InChIInChI=1S/C56H46N4/c1-35-11-7-9-13-51(35)55-29-54(50-27-47(43-21-17-39(5)59-33-43)24-48(28-50)44-22-18-40(6)60-34-44)56(52-14-10-8-12-36(52)2)30-53(55)49-25-45(41-19-15-37(3)57-31-41)23-46(26-49)42-20-16-38(4)58-32-42/h7-34H,1-6H3
InChIKeyAZFGRNXZEDNTRR-UHFFFAOYSA-N
MW775.01 g/mol
LogP14.45
Rot. Bonds8

About 5-[3-[4-[3,5-bis(6-methyl-3-pyridinyl)phenyl]-2,5-bis(2-methylphenyl)phenyl]-5-(6-methyl-3-pyridinyl)phenyl]-2-methylpyridine

5-[3-[4-[3,5-bis(6-methyl-3-pyridinyl)phenyl]-2,5-bis(2-methylphenyl)phenyl]-5-(6-methyl-3-pyridinyl)phenyl]-2-methylpyridine (PubChem CID 68614371) has the molecular formula C56H46N4 and a molecular weight of 775.01 g/mol. Its IUPAC name is 5-[3-[4-[3,5-bis(6-methyl-3-pyridinyl)phenyl]-2,5-bis(2-methylphenyl)phenyl]-5-(6-methyl-3-pyridinyl)phenyl]-2-methylpyridine.

Molecular Properties

Compound Name5-[3-[4-[3,5-bis(6-methyl-3-pyridinyl)phenyl]-2,5-bis(2-methylphenyl)phenyl]-5-(6-methyl-3-pyridinyl)phenyl]-2-methylpyridine
PubChem CID68614371
Molecular FormulaC56H46N4
Molecular Weight775.01 g/mol
Exact Mass774.37
IUPAC Name5-[3-[4-[3,5-bis(6-methyl-3-pyridinyl)phenyl]-2,5-bis(2-methylphenyl)phenyl]-5-(6-methyl-3-pyridinyl)phenyl]-2-methylpyridine
SMILESCc1ccc(-c2cc(-c3ccc(C)nc3)cc(-c3cc(-c4ccccc4C)c(-c4cc(-c5ccc(C)nc5)cc(-c5ccc(C)nc5)c4)cc3-c3ccccc3C)c2)cn1
InChIInChI=1S/C56H46N4/c1-35-11-7-9-13-51(35)55-29-54(50-27-47(43-21-17-39(5)59-33-43)24-48(28-50)44-22-18-40(6)60-34-44)56(52-14-10-8-12-36(52)2)30-53(55)49-25-45(41-19-15-37(3)57-31-41)23-46(26-49)42-20-16-38(4)58-32-42/h7-34H,1-6H3
InChIKeyAZFGRNXZEDNTRR-UHFFFAOYSA-N
XLogP14.45
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.01
LogP ≤ 514.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-[3,5-bis(6-methyl-3-pyridinyl)phenyl]-2,5-bis(2-methylphenyl)phenyl]-5-(6-methyl-3-pyridinyl)phenyl]-2-methylpyridine?
The IUPAC name of 5-[3-[4-[3,5-bis(6-methyl-3-pyridinyl)phenyl]-2,5-bis(2-methylphenyl)phenyl]-5-(6-methyl-3-pyridinyl)phenyl]-2-methylpyridine (CID 68614371) is 5-[3-[4-[3,5-bis(6-methyl-3-pyridinyl)phenyl]-2,5-bis(2-methylphenyl)phenyl]-5-(6-methyl-3-pyridinyl)phenyl]-2-methylpyridine.
What is the SMILES notation for 5-[3-[4-[3,5-bis(6-methyl-3-pyridinyl)phenyl]-2,5-bis(2-methylphenyl)phenyl]-5-(6-methyl-3-pyridinyl)phenyl]-2-methylpyridine?
The canonical SMILES for 5-[3-[4-[3,5-bis(6-methyl-3-pyridinyl)phenyl]-2,5-bis(2-methylphenyl)phenyl]-5-(6-methyl-3-pyridinyl)phenyl]-2-methylpyridine is Cc1ccc(-c2cc(-c3ccc(C)nc3)cc(-c3cc(-c4ccccc4C)c(-c4cc(-c5ccc(C)nc5)cc(-c5ccc(C)nc5)c4)cc3-c3ccccc3C)c2)cn1.
What is the InChIKey of 5-[3-[4-[3,5-bis(6-methyl-3-pyridinyl)phenyl]-2,5-bis(2-methylphenyl)phenyl]-5-(6-methyl-3-pyridinyl)phenyl]-2-methylpyridine?
The InChIKey is AZFGRNXZEDNTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H46N4/c1-35-11-7-9-13-51(35)55-29-54(50-27-47(43-21-17-39(5)59-33-43)24-48(28-50)44-22-18-40(6)60-34-44)56(52-14-10-8-12-36(52)2)30-53(55)49-25-45(41-19-15-37(3)57-31-41)23-46(26-49)42-20-16-38(4)58-32-42/h7-34H,1-6H3.
What are the key properties of 5-[3-[4-[3,5-bis(6-methyl-3-pyridinyl)phenyl]-2,5-bis(2-methylphenyl)phenyl]-5-(6-methyl-3-pyridinyl)phenyl]-2-methylpyridine?
5-[3-[4-[3,5-bis(6-methyl-3-pyridinyl)phenyl]-2,5-bis(2-methylphenyl)phenyl]-5-(6-methyl-3-pyridinyl)phenyl]-2-methylpyridine has a molecular weight of 775.01 g/mol, XLogP of 14.45, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-[3,5-bis(6-methyl-3-pyridinyl)phenyl]-2,5-bis(2-methylphenyl)phenyl]-5-(6-methyl-3-pyridinyl)phenyl]-2-methylpyridine is sourced from PubChem (CID 68614371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).