N-(4-pyridin-4-ylphenyl)-1-[4-[(4-pyridin-4-ylphenyl)iminomethyl]phenyl]methanimine

C30H22N4 — CID 146322916

IUPACN-(4-pyridin-4-ylphenyl)-1-[4-[(4-pyridin-4-ylphenyl)iminomethyl]phenyl]methanimine
SMILESC(=N/c1ccc(-c2ccncc2)cc1)\c1ccc(/C=N/c2ccc(-c3ccncc3)cc2)cc1
InChIInChI=1S/C30H22N4/c1-2-24(22-34-30-11-7-26(8-12-30)28-15-19-32-20-16-28)4-3-23(1)21-33-29-9-5-25(6-10-29)27-13-17-31-18-14-27/h1-22H/b33-21+,34-22+
InChIKeyVPGDUJKXGXFBQK-WXGDAXOSSA-N
MW438.53 g/mol
LogP7.31
Rot. Bonds6

About N-(4-pyridin-4-ylphenyl)-1-[4-[(4-pyridin-4-ylphenyl)iminomethyl]phenyl]methanimine

N-(4-pyridin-4-ylphenyl)-1-[4-[(4-pyridin-4-ylphenyl)iminomethyl]phenyl]methanimine (PubChem CID 146322916) has the molecular formula C30H22N4 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-(4-pyridin-4-ylphenyl)-1-[4-[(4-pyridin-4-ylphenyl)iminomethyl]phenyl]methanimine.

Molecular Properties

Compound NameN-(4-pyridin-4-ylphenyl)-1-[4-[(4-pyridin-4-ylphenyl)iminomethyl]phenyl]methanimine
PubChem CID146322916
Molecular FormulaC30H22N4
Molecular Weight438.53 g/mol
Exact Mass438.18
IUPAC NameN-(4-pyridin-4-ylphenyl)-1-[4-[(4-pyridin-4-ylphenyl)iminomethyl]phenyl]methanimine
SMILESC(=N/c1ccc(-c2ccncc2)cc1)\c1ccc(/C=N/c2ccc(-c3ccncc3)cc2)cc1
InChIInChI=1S/C30H22N4/c1-2-24(22-34-30-11-7-26(8-12-30)28-15-19-32-20-16-28)4-3-23(1)21-33-29-9-5-25(6-10-29)27-13-17-31-18-14-27/h1-22H/b33-21+,34-22+
InChIKeyVPGDUJKXGXFBQK-WXGDAXOSSA-N
XLogP7.31
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 57.31
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 N-(4-pyridin-4-ylphenyl)-1-[4-[(4-pyridin-4-ylphenyl)iminomethyl]phenyl]methanimine?
The IUPAC name of N-(4-pyridin-4-ylphenyl)-1-[4-[(4-pyridin-4-ylphenyl)iminomethyl]phenyl]methanimine (CID 146322916) is N-(4-pyridin-4-ylphenyl)-1-[4-[(4-pyridin-4-ylphenyl)iminomethyl]phenyl]methanimine.
What is the SMILES notation for N-(4-pyridin-4-ylphenyl)-1-[4-[(4-pyridin-4-ylphenyl)iminomethyl]phenyl]methanimine?
The canonical SMILES for N-(4-pyridin-4-ylphenyl)-1-[4-[(4-pyridin-4-ylphenyl)iminomethyl]phenyl]methanimine is C(=N/c1ccc(-c2ccncc2)cc1)\c1ccc(/C=N/c2ccc(-c3ccncc3)cc2)cc1.
What is the InChIKey of N-(4-pyridin-4-ylphenyl)-1-[4-[(4-pyridin-4-ylphenyl)iminomethyl]phenyl]methanimine?
The InChIKey is VPGDUJKXGXFBQK-WXGDAXOSSA-N. The full InChI is InChI=1S/C30H22N4/c1-2-24(22-34-30-11-7-26(8-12-30)28-15-19-32-20-16-28)4-3-23(1)21-33-29-9-5-25(6-10-29)27-13-17-31-18-14-27/h1-22H/b33-21+,34-22+.
What are the key properties of N-(4-pyridin-4-ylphenyl)-1-[4-[(4-pyridin-4-ylphenyl)iminomethyl]phenyl]methanimine?
N-(4-pyridin-4-ylphenyl)-1-[4-[(4-pyridin-4-ylphenyl)iminomethyl]phenyl]methanimine has a molecular weight of 438.53 g/mol, XLogP of 7.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyridin-4-ylphenyl)-1-[4-[(4-pyridin-4-ylphenyl)iminomethyl]phenyl]methanimine is sourced from PubChem (CID 146322916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).