N-[4-[3,5-di(propan-2-yl)-4-[2-(6-pyridin-2-yl-2-pyridinyl)ethylideneamino]phenyl]-2,6-di(propan-2-yl)phenyl]-2-(6-pyridin-2-yl-2-pyridinyl)ethanimine

C48H52N6 — CID 91205826

IUPACN-[4-[3,5-di(propan-2-yl)-4-[2-(6-pyridin-2-yl-2-pyridinyl)ethylideneamino]phenyl]-2,6-di(propan-2-yl)phenyl]-2-(6-pyridin-2-yl-2-pyridinyl)ethanimine
SMILESCC(C)c1cc(-c2cc(C(C)C)c(/N=C/Cc3cccc(-c4ccccn4)n3)c(C(C)C)c2)cc(C(C)C)c1/N=C/Cc1cccc(-c2ccccn2)n1
InChIInChI=1S/C48H52N6/c1-31(2)39-27-35(28-40(32(3)4)47(39)51-25-21-37-15-13-19-45(53-37)43-17-9-11-23-49-43)36-29-41(33(5)6)48(42(30-36)34(7)8)52-26-22-38-16-14-20-46(54-38)44-18-10-12-24-50-44/h9-20,23-34H,21-22H2,1-8H3/b51-25+,52-26+
InChIKeyHGNOKSIQBQDEAQ-OHKUQIHYSA-N
MW712.99 g/mol
LogP12.65
Rot. Bonds13

About N-[4-[3,5-di(propan-2-yl)-4-[2-(6-pyridin-2-yl-2-pyridinyl)ethylideneamino]phenyl]-2,6-di(propan-2-yl)phenyl]-2-(6-pyridin-2-yl-2-pyridinyl)ethanimine

N-[4-[3,5-di(propan-2-yl)-4-[2-(6-pyridin-2-yl-2-pyridinyl)ethylideneamino]phenyl]-2,6-di(propan-2-yl)phenyl]-2-(6-pyridin-2-yl-2-pyridinyl)ethanimine (PubChem CID 91205826) has the molecular formula C48H52N6 and a molecular weight of 712.99 g/mol. Its IUPAC name is N-[4-[3,5-di(propan-2-yl)-4-[2-(6-pyridin-2-yl-2-pyridinyl)ethylideneamino]phenyl]-2,6-di(propan-2-yl)phenyl]-2-(6-pyridin-2-yl-2-pyridinyl)ethanimine.

Molecular Properties

Compound NameN-[4-[3,5-di(propan-2-yl)-4-[2-(6-pyridin-2-yl-2-pyridinyl)ethylideneamino]phenyl]-2,6-di(propan-2-yl)phenyl]-2-(6-pyridin-2-yl-2-pyridinyl)ethanimine
PubChem CID91205826
Molecular FormulaC48H52N6
Molecular Weight712.99 g/mol
Exact Mass712.43
IUPAC NameN-[4-[3,5-di(propan-2-yl)-4-[2-(6-pyridin-2-yl-2-pyridinyl)ethylideneamino]phenyl]-2,6-di(propan-2-yl)phenyl]-2-(6-pyridin-2-yl-2-pyridinyl)ethanimine
SMILESCC(C)c1cc(-c2cc(C(C)C)c(/N=C/Cc3cccc(-c4ccccn4)n3)c(C(C)C)c2)cc(C(C)C)c1/N=C/Cc1cccc(-c2ccccn2)n1
InChIInChI=1S/C48H52N6/c1-31(2)39-27-35(28-40(32(3)4)47(39)51-25-21-37-15-13-19-45(53-37)43-17-9-11-23-49-43)36-29-41(33(5)6)48(42(30-36)34(7)8)52-26-22-38-16-14-20-46(54-38)44-18-10-12-24-50-44/h9-20,23-34H,21-22H2,1-8H3/b51-25+,52-26+
InChIKeyHGNOKSIQBQDEAQ-OHKUQIHYSA-N
XLogP12.65
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.99
LogP ≤ 512.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[3,5-di(propan-2-yl)-4-(2-pyridin-2-ylethylideneamino)phenyl]-2,6-di(propan-2-yl)phenyl]-2-pyridin-2-ylethanimine
CID 68749083
2-[6-[2-[2,6-di(propan-2-yl)phenyl]iminoethyl]-2-pyridinyl]-N-phenylethanimine
CID 126613675
N-[4-[3,5-dimethyl-4-(2-pyridin-2-ylethylideneamino)phenyl]-2,6-dimethylphenyl]-2-pyridin-2-ylethanimine;nickel;tetrahydrobromide
CID 173107657
N-[2,6-di(propan-2-yl)phenyl]-1-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methanimine
CID 101384973
N-[2,6-di(propan-2-yl)phenyl]-2-pyrazin-2-ylethanimine;nickel
CID 87878712
2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-[2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine
CID 15448140
nickel;2-pyridin-2-yl-N-[2,3,5,6-tetramethyl-4-(2-pyridin-2-ylethylideneamino)phenyl]ethanimine;tetrahydrobromide
CID 173107216
N-[4-[3-bromo-2-[3,5-dimethyl-4-(2-pyridin-2-ylethylideneamino)phenyl]-6-methylphenyl]-2,6-dimethylphenyl]-2-pyridin-2-ylethanimine
CID 69492765
2-[2,6-di(propan-2-yl)phenyl]pyridine
CID 141394538
N-[4-[[3,5-di(propan-2-yl)-4-(pyridin-2-ylmethylideneamino)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine
CID 68745734
2-pyridin-2-yl-6-(pyridin-4-ylmethyl)pyridine
CID 166974134
N-[2,5-dimethyl-4-(2-pyridin-2-ylethylideneamino)phenyl]-2-pyridin-2-ylethanimine
CID 68747629

Frequently Asked Questions

What is the IUPAC name of N-[4-[3,5-di(propan-2-yl)-4-[2-(6-pyridin-2-yl-2-pyridinyl)ethylideneamino]phenyl]-2,6-di(propan-2-yl)phenyl]-2-(6-pyridin-2-yl-2-pyridinyl)ethanimine?
The IUPAC name of N-[4-[3,5-di(propan-2-yl)-4-[2-(6-pyridin-2-yl-2-pyridinyl)ethylideneamino]phenyl]-2,6-di(propan-2-yl)phenyl]-2-(6-pyridin-2-yl-2-pyridinyl)ethanimine (CID 91205826) is N-[4-[3,5-di(propan-2-yl)-4-[2-(6-pyridin-2-yl-2-pyridinyl)ethylideneamino]phenyl]-2,6-di(propan-2-yl)phenyl]-2-(6-pyridin-2-yl-2-pyridinyl)ethanimine.
What is the SMILES notation for N-[4-[3,5-di(propan-2-yl)-4-[2-(6-pyridin-2-yl-2-pyridinyl)ethylideneamino]phenyl]-2,6-di(propan-2-yl)phenyl]-2-(6-pyridin-2-yl-2-pyridinyl)ethanimine?
The canonical SMILES for N-[4-[3,5-di(propan-2-yl)-4-[2-(6-pyridin-2-yl-2-pyridinyl)ethylideneamino]phenyl]-2,6-di(propan-2-yl)phenyl]-2-(6-pyridin-2-yl-2-pyridinyl)ethanimine is CC(C)c1cc(-c2cc(C(C)C)c(/N=C/Cc3cccc(-c4ccccn4)n3)c(C(C)C)c2)cc(C(C)C)c1/N=C/Cc1cccc(-c2ccccn2)n1.
What is the InChIKey of N-[4-[3,5-di(propan-2-yl)-4-[2-(6-pyridin-2-yl-2-pyridinyl)ethylideneamino]phenyl]-2,6-di(propan-2-yl)phenyl]-2-(6-pyridin-2-yl-2-pyridinyl)ethanimine?
The InChIKey is HGNOKSIQBQDEAQ-OHKUQIHYSA-N. The full InChI is InChI=1S/C48H52N6/c1-31(2)39-27-35(28-40(32(3)4)47(39)51-25-21-37-15-13-19-45(53-37)43-17-9-11-23-49-43)36-29-41(33(5)6)48(42(30-36)34(7)8)52-26-22-38-16-14-20-46(54-38)44-18-10-12-24-50-44/h9-20,23-34H,21-22H2,1-8H3/b51-25+,52-26+.
What are the key properties of N-[4-[3,5-di(propan-2-yl)-4-[2-(6-pyridin-2-yl-2-pyridinyl)ethylideneamino]phenyl]-2,6-di(propan-2-yl)phenyl]-2-(6-pyridin-2-yl-2-pyridinyl)ethanimine?
N-[4-[3,5-di(propan-2-yl)-4-[2-(6-pyridin-2-yl-2-pyridinyl)ethylideneamino]phenyl]-2,6-di(propan-2-yl)phenyl]-2-(6-pyridin-2-yl-2-pyridinyl)ethanimine has a molecular weight of 712.99 g/mol, XLogP of 12.65, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3,5-di(propan-2-yl)-4-[2-(6-pyridin-2-yl-2-pyridinyl)ethylideneamino]phenyl]-2,6-di(propan-2-yl)phenyl]-2-(6-pyridin-2-yl-2-pyridinyl)ethanimine is sourced from PubChem (CID 91205826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).