N-[3,5-bis[[phenyl-(4-pyridin-2-ylphenyl)methylidene]amino]phenyl]-1-phenyl-1-(4-pyridin-2-ylphenyl)methanimine

C60H42N6 — CID 140904704

IUPACN-[3,5-bis[[phenyl-(4-pyridin-2-ylphenyl)methylidene]amino]phenyl]-1-phenyl-1-(4-pyridin-2-ylphenyl)methanimine
SMILESc1ccc(/C(=N\c2cc(/N=C(\c3ccccc3)c3ccc(-c4ccccn4)cc3)cc(/N=C(\c3ccccc3)c3ccc(-c4ccccn4)cc3)c2)c2ccc(-c3ccccn3)cc2)cc1
InChIInChI=1S/C60H42N6/c1-4-16-46(17-5-1)58(49-31-25-43(26-32-49)55-22-10-13-37-61-55)64-52-40-53(65-59(47-18-6-2-7-19-47)50-33-27-44(28-34-50)56-23-11-14-38-62-56)42-54(41-52)66-60(48-20-8-3-9-21-48)51-35-29-45(30-36-51)57-24-12-15-39-63-57/h1-42H/b64-58+,65-59+,66-60+
InChIKeyFXQRGXMIXCSVQA-LJAYWLRASA-N
MW847.04 g/mol
LogP14.38
Rot. Bonds12

About N-[3,5-bis[[phenyl-(4-pyridin-2-ylphenyl)methylidene]amino]phenyl]-1-phenyl-1-(4-pyridin-2-ylphenyl)methanimine

N-[3,5-bis[[phenyl-(4-pyridin-2-ylphenyl)methylidene]amino]phenyl]-1-phenyl-1-(4-pyridin-2-ylphenyl)methanimine (PubChem CID 140904704) has the molecular formula C60H42N6 and a molecular weight of 847.04 g/mol. Its IUPAC name is N-[3,5-bis[[phenyl-(4-pyridin-2-ylphenyl)methylidene]amino]phenyl]-1-phenyl-1-(4-pyridin-2-ylphenyl)methanimine.

Molecular Properties

Compound NameN-[3,5-bis[[phenyl-(4-pyridin-2-ylphenyl)methylidene]amino]phenyl]-1-phenyl-1-(4-pyridin-2-ylphenyl)methanimine
PubChem CID140904704
Molecular FormulaC60H42N6
Molecular Weight847.04 g/mol
Exact Mass846.35
IUPAC NameN-[3,5-bis[[phenyl-(4-pyridin-2-ylphenyl)methylidene]amino]phenyl]-1-phenyl-1-(4-pyridin-2-ylphenyl)methanimine
SMILESc1ccc(/C(=N\c2cc(/N=C(\c3ccccc3)c3ccc(-c4ccccn4)cc3)cc(/N=C(\c3ccccc3)c3ccc(-c4ccccn4)cc3)c2)c2ccc(-c3ccccn3)cc2)cc1
InChIInChI=1S/C60H42N6/c1-4-16-46(17-5-1)58(49-31-25-43(26-32-49)55-22-10-13-37-61-55)64-52-40-53(65-59(47-18-6-2-7-19-47)50-33-27-44(28-34-50)56-23-11-14-38-62-56)42-54(41-52)66-60(48-20-8-3-9-21-48)51-35-29-45(30-36-51)57-24-12-15-39-63-57/h1-42H/b64-58+,65-59+,66-60+
InChIKeyFXQRGXMIXCSVQA-LJAYWLRASA-N
XLogP14.38
TPSA75.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500847.04
LogP ≤ 514.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3,5-bis[[phenyl-(4-pyridin-2-ylphenyl)methylidene]amino]phenyl]-1-phenyl-1-(4-pyridin-2-ylphenyl)methanimine with MolForge

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Related Compounds

hydrazine;2-phenylpyridine
CID 158673997
bis(iridium);tetrakis(4-pyridin-2-ylphenol)
CID 173084104
2-(3,5-dipyridin-2-ylphenyl)-4,6-bis(4-pyridin-2-ylphenyl)-1,3,5-triazine
CID 118582359
2,4-diphenyl-6-pyridin-2-ylpyrimidine
CID 126746872
4,6-diphenyl-2-[3-(4-phenylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 122549117
2,4-diphenyl-6-[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine
CID 59510699
5,6-diethoxy-3-[C-phenyl-N-(4-pyridin-2-ylphenyl)carbonimidoyl]-1H-indol-2-ol
CID 135585817
2-phenylpyridine;propan-2-one
CID 174845023
N-(3,5-dimethylphenyl)-1,1-diphenylmethanimine
CID 11033428
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 134166118
N-methyl-4-pyridin-2-ylbenzamide
CID 110464841

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis[[phenyl-(4-pyridin-2-ylphenyl)methylidene]amino]phenyl]-1-phenyl-1-(4-pyridin-2-ylphenyl)methanimine?
The IUPAC name of N-[3,5-bis[[phenyl-(4-pyridin-2-ylphenyl)methylidene]amino]phenyl]-1-phenyl-1-(4-pyridin-2-ylphenyl)methanimine (CID 140904704) is N-[3,5-bis[[phenyl-(4-pyridin-2-ylphenyl)methylidene]amino]phenyl]-1-phenyl-1-(4-pyridin-2-ylphenyl)methanimine.
What is the SMILES notation for N-[3,5-bis[[phenyl-(4-pyridin-2-ylphenyl)methylidene]amino]phenyl]-1-phenyl-1-(4-pyridin-2-ylphenyl)methanimine?
The canonical SMILES for N-[3,5-bis[[phenyl-(4-pyridin-2-ylphenyl)methylidene]amino]phenyl]-1-phenyl-1-(4-pyridin-2-ylphenyl)methanimine is c1ccc(/C(=N\c2cc(/N=C(\c3ccccc3)c3ccc(-c4ccccn4)cc3)cc(/N=C(\c3ccccc3)c3ccc(-c4ccccn4)cc3)c2)c2ccc(-c3ccccn3)cc2)cc1.
What is the InChIKey of N-[3,5-bis[[phenyl-(4-pyridin-2-ylphenyl)methylidene]amino]phenyl]-1-phenyl-1-(4-pyridin-2-ylphenyl)methanimine?
The InChIKey is FXQRGXMIXCSVQA-LJAYWLRASA-N. The full InChI is InChI=1S/C60H42N6/c1-4-16-46(17-5-1)58(49-31-25-43(26-32-49)55-22-10-13-37-61-55)64-52-40-53(65-59(47-18-6-2-7-19-47)50-33-27-44(28-34-50)56-23-11-14-38-62-56)42-54(41-52)66-60(48-20-8-3-9-21-48)51-35-29-45(30-36-51)57-24-12-15-39-63-57/h1-42H/b64-58+,65-59+,66-60+.
What are the key properties of N-[3,5-bis[[phenyl-(4-pyridin-2-ylphenyl)methylidene]amino]phenyl]-1-phenyl-1-(4-pyridin-2-ylphenyl)methanimine?
N-[3,5-bis[[phenyl-(4-pyridin-2-ylphenyl)methylidene]amino]phenyl]-1-phenyl-1-(4-pyridin-2-ylphenyl)methanimine has a molecular weight of 847.04 g/mol, XLogP of 14.38, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis[[phenyl-(4-pyridin-2-ylphenyl)methylidene]amino]phenyl]-1-phenyl-1-(4-pyridin-2-ylphenyl)methanimine is sourced from PubChem (CID 140904704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).