4-ethyl-3-[4-ethyl-3-[4-[2-ethyl-5-(4-ethyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]phenyl]pyridine

C48H44N2 — CID 59609426

IUPAC4-ethyl-3-[4-ethyl-3-[4-[2-ethyl-5-(4-ethyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]phenyl]pyridine
SMILESCCc1ccncc1-c1ccc(CC)c(-c2cc(-c3ccccc3)c(-c3cc(-c4cnccc4CC)ccc3CC)cc2-c2ccccc2)c1
InChIInChI=1S/C48H44N2/c1-5-33-19-21-39(47-31-49-25-23-35(47)7-3)27-41(33)45-29-44(38-17-13-10-14-18-38)46(30-43(45)37-15-11-9-12-16-37)42-28-40(22-20-34(42)6-2)48-32-50-26-24-36(48)8-4/h9-32H,5-8H2,1-4H3
InChIKeyVCNOGQSIPFUVAI-UHFFFAOYSA-N
MW648.89 g/mol
LogP12.73
Rot. Bonds10

About 4-ethyl-3-[4-ethyl-3-[4-[2-ethyl-5-(4-ethyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]phenyl]pyridine

4-ethyl-3-[4-ethyl-3-[4-[2-ethyl-5-(4-ethyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]phenyl]pyridine (PubChem CID 59609426) has the molecular formula C48H44N2 and a molecular weight of 648.89 g/mol. Its IUPAC name is 4-ethyl-3-[4-ethyl-3-[4-[2-ethyl-5-(4-ethyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]phenyl]pyridine.

Molecular Properties

Compound Name4-ethyl-3-[4-ethyl-3-[4-[2-ethyl-5-(4-ethyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]phenyl]pyridine
PubChem CID59609426
Molecular FormulaC48H44N2
Molecular Weight648.89 g/mol
Exact Mass648.35
IUPAC Name4-ethyl-3-[4-ethyl-3-[4-[2-ethyl-5-(4-ethyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]phenyl]pyridine
SMILESCCc1ccncc1-c1ccc(CC)c(-c2cc(-c3ccccc3)c(-c3cc(-c4cnccc4CC)ccc3CC)cc2-c2ccccc2)c1
InChIInChI=1S/C48H44N2/c1-5-33-19-21-39(47-31-49-25-23-35(47)7-3)27-41(33)45-29-44(38-17-13-10-14-18-38)46(30-43(45)37-15-11-9-12-16-37)42-28-40(22-20-34(42)6-2)48-32-50-26-24-36(48)8-4/h9-32H,5-8H2,1-4H3
InChIKeyVCNOGQSIPFUVAI-UHFFFAOYSA-N
XLogP12.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.89
LogP ≤ 512.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-[4-ethyl-3-[4-[2-ethyl-5-(4-ethyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]phenyl]pyridine?
The IUPAC name of 4-ethyl-3-[4-ethyl-3-[4-[2-ethyl-5-(4-ethyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]phenyl]pyridine (CID 59609426) is 4-ethyl-3-[4-ethyl-3-[4-[2-ethyl-5-(4-ethyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]phenyl]pyridine.
What is the SMILES notation for 4-ethyl-3-[4-ethyl-3-[4-[2-ethyl-5-(4-ethyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]phenyl]pyridine?
The canonical SMILES for 4-ethyl-3-[4-ethyl-3-[4-[2-ethyl-5-(4-ethyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]phenyl]pyridine is CCc1ccncc1-c1ccc(CC)c(-c2cc(-c3ccccc3)c(-c3cc(-c4cnccc4CC)ccc3CC)cc2-c2ccccc2)c1.
What is the InChIKey of 4-ethyl-3-[4-ethyl-3-[4-[2-ethyl-5-(4-ethyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]phenyl]pyridine?
The InChIKey is VCNOGQSIPFUVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H44N2/c1-5-33-19-21-39(47-31-49-25-23-35(47)7-3)27-41(33)45-29-44(38-17-13-10-14-18-38)46(30-43(45)37-15-11-9-12-16-37)42-28-40(22-20-34(42)6-2)48-32-50-26-24-36(48)8-4/h9-32H,5-8H2,1-4H3.
What are the key properties of 4-ethyl-3-[4-ethyl-3-[4-[2-ethyl-5-(4-ethyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]phenyl]pyridine?
4-ethyl-3-[4-ethyl-3-[4-[2-ethyl-5-(4-ethyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]phenyl]pyridine has a molecular weight of 648.89 g/mol, XLogP of 12.73, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[4-ethyl-3-[4-[2-ethyl-5-(4-ethyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]phenyl]pyridine is sourced from PubChem (CID 59609426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).