1-[3-[3,5-di(quinolin-3-yl)phenyl]-5-quinolin-3-ylphenyl]-N-(2-methylphenyl)ethanimine

C48H34N4 — CID 89049709

IUPAC1-[3-[3,5-di(quinolin-3-yl)phenyl]-5-quinolin-3-ylphenyl]-N-(2-methylphenyl)ethanimine
SMILESC/C(=N\c1ccccc1C)c1cc(-c2cc(-c3cnc4ccccc4c3)cc(-c3cnc4ccccc4c3)c2)cc(-c2cnc3ccccc3c2)c1
InChIInChI=1S/C48H34N4/c1-31-11-3-7-15-45(31)52-32(2)36-22-37(24-39(23-36)42-19-33-12-4-8-16-46(33)49-28-42)38-25-40(43-20-34-13-5-9-17-47(34)50-29-43)27-41(26-38)44-21-35-14-6-10-18-48(35)51-30-44/h3-30H,1-2H3/b52-32+
InChIKeyWVDQVMKUCDEGAT-MTZGLDRGSA-N
MW666.83 g/mol
LogP12.45
Rot. Bonds6

About 1-[3-[3,5-di(quinolin-3-yl)phenyl]-5-quinolin-3-ylphenyl]-N-(2-methylphenyl)ethanimine

1-[3-[3,5-di(quinolin-3-yl)phenyl]-5-quinolin-3-ylphenyl]-N-(2-methylphenyl)ethanimine (PubChem CID 89049709) has the molecular formula C48H34N4 and a molecular weight of 666.83 g/mol. Its IUPAC name is 1-[3-[3,5-di(quinolin-3-yl)phenyl]-5-quinolin-3-ylphenyl]-N-(2-methylphenyl)ethanimine.

Molecular Properties

Compound Name1-[3-[3,5-di(quinolin-3-yl)phenyl]-5-quinolin-3-ylphenyl]-N-(2-methylphenyl)ethanimine
PubChem CID89049709
Molecular FormulaC48H34N4
Molecular Weight666.83 g/mol
Exact Mass666.28
IUPAC Name1-[3-[3,5-di(quinolin-3-yl)phenyl]-5-quinolin-3-ylphenyl]-N-(2-methylphenyl)ethanimine
SMILESC/C(=N\c1ccccc1C)c1cc(-c2cc(-c3cnc4ccccc4c3)cc(-c3cnc4ccccc4c3)c2)cc(-c2cnc3ccccc3c2)c1
InChIInChI=1S/C48H34N4/c1-31-11-3-7-15-45(31)52-32(2)36-22-37(24-39(23-36)42-19-33-12-4-8-16-46(33)49-28-42)38-25-40(43-20-34-13-5-9-17-47(34)50-29-43)27-41(26-38)44-21-35-14-6-10-18-48(35)51-30-44/h3-30H,1-2H3/b52-32+
InChIKeyWVDQVMKUCDEGAT-MTZGLDRGSA-N
XLogP12.45
TPSA51.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.83
LogP ≤ 512.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3,5-di(quinolin-3-yl)phenyl]-5-quinolin-3-ylphenyl]-N-(2-methylphenyl)ethanimine?
The IUPAC name of 1-[3-[3,5-di(quinolin-3-yl)phenyl]-5-quinolin-3-ylphenyl]-N-(2-methylphenyl)ethanimine (CID 89049709) is 1-[3-[3,5-di(quinolin-3-yl)phenyl]-5-quinolin-3-ylphenyl]-N-(2-methylphenyl)ethanimine.
What is the SMILES notation for 1-[3-[3,5-di(quinolin-3-yl)phenyl]-5-quinolin-3-ylphenyl]-N-(2-methylphenyl)ethanimine?
The canonical SMILES for 1-[3-[3,5-di(quinolin-3-yl)phenyl]-5-quinolin-3-ylphenyl]-N-(2-methylphenyl)ethanimine is C/C(=N\c1ccccc1C)c1cc(-c2cc(-c3cnc4ccccc4c3)cc(-c3cnc4ccccc4c3)c2)cc(-c2cnc3ccccc3c2)c1.
What is the InChIKey of 1-[3-[3,5-di(quinolin-3-yl)phenyl]-5-quinolin-3-ylphenyl]-N-(2-methylphenyl)ethanimine?
The InChIKey is WVDQVMKUCDEGAT-MTZGLDRGSA-N. The full InChI is InChI=1S/C48H34N4/c1-31-11-3-7-15-45(31)52-32(2)36-22-37(24-39(23-36)42-19-33-12-4-8-16-46(33)49-28-42)38-25-40(43-20-34-13-5-9-17-47(34)50-29-43)27-41(26-38)44-21-35-14-6-10-18-48(35)51-30-44/h3-30H,1-2H3/b52-32+.
What are the key properties of 1-[3-[3,5-di(quinolin-3-yl)phenyl]-5-quinolin-3-ylphenyl]-N-(2-methylphenyl)ethanimine?
1-[3-[3,5-di(quinolin-3-yl)phenyl]-5-quinolin-3-ylphenyl]-N-(2-methylphenyl)ethanimine has a molecular weight of 666.83 g/mol, XLogP of 12.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3,5-di(quinolin-3-yl)phenyl]-5-quinolin-3-ylphenyl]-N-(2-methylphenyl)ethanimine is sourced from PubChem (CID 89049709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).