1-phenyl-N-[4-[[4-[[phenyl(pyridin-2-yl)methylidene]amino]phenyl]methyl]phenyl]-1-pyridin-2-ylmethanimine

C37H28N4 — CID 86041704

IUPAC1-phenyl-N-[4-[[4-[[phenyl(pyridin-2-yl)methylidene]amino]phenyl]methyl]phenyl]-1-pyridin-2-ylmethanimine
SMILESc1ccc(/C(=N\c2ccc(Cc3ccc(/N=C(\c4ccccc4)c4ccccn4)cc3)cc2)c2ccccn2)cc1
InChIInChI=1S/C37H28N4/c1-3-11-30(12-4-1)36(34-15-7-9-25-38-34)40-32-21-17-28(18-22-32)27-29-19-23-33(24-20-29)41-37(31-13-5-2-6-14-31)35-16-8-10-26-39-35/h1-26H,27H2/b40-36+,41-37+
InChIKeyLVJUQGOFQCYZNL-NPNTWUCNSA-N
MW528.66 g/mol
LogP8.41
Rot. Bonds8

About 1-phenyl-N-[4-[[4-[[phenyl(pyridin-2-yl)methylidene]amino]phenyl]methyl]phenyl]-1-pyridin-2-ylmethanimine

1-phenyl-N-[4-[[4-[[phenyl(pyridin-2-yl)methylidene]amino]phenyl]methyl]phenyl]-1-pyridin-2-ylmethanimine (PubChem CID 86041704) has the molecular formula C37H28N4 and a molecular weight of 528.66 g/mol. Its IUPAC name is 1-phenyl-N-[4-[[4-[[phenyl(pyridin-2-yl)methylidene]amino]phenyl]methyl]phenyl]-1-pyridin-2-ylmethanimine.

Molecular Properties

Compound Name1-phenyl-N-[4-[[4-[[phenyl(pyridin-2-yl)methylidene]amino]phenyl]methyl]phenyl]-1-pyridin-2-ylmethanimine
PubChem CID86041704
Molecular FormulaC37H28N4
Molecular Weight528.66 g/mol
Exact Mass528.23
IUPAC Name1-phenyl-N-[4-[[4-[[phenyl(pyridin-2-yl)methylidene]amino]phenyl]methyl]phenyl]-1-pyridin-2-ylmethanimine
SMILESc1ccc(/C(=N\c2ccc(Cc3ccc(/N=C(\c4ccccc4)c4ccccn4)cc3)cc2)c2ccccn2)cc1
InChIInChI=1S/C37H28N4/c1-3-11-30(12-4-1)36(34-15-7-9-25-38-34)40-32-21-17-28(18-22-32)27-29-19-23-33(24-20-29)41-37(31-13-5-2-6-14-31)35-16-8-10-26-39-35/h1-26H,27H2/b40-36+,41-37+
InChIKeyLVJUQGOFQCYZNL-NPNTWUCNSA-N
XLogP8.41
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.66
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-N-[4-[[4-[[phenyl(pyridin-2-yl)methylidene]amino]-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine
CID 101245464
(NZ)-N-[phenyl(pyridin-2-yl)methylidene]hydroxylamine
CID 135427108
cerium(3+);tris(N-oxido-1-phenyl-1-pyridin-2-ylmethanimine)
CID 50910437
cerium(3+);tris((E)-N-oxido-1-phenyl-1-pyridin-2-ylmethanimine);chloride
CID 54608591
(Z)-1-phenyl-N-phenylmethoxy-1-pyridin-2-ylmethanimine
CID 87293171
(NE)-N-[pyridin-2-yl(pyridin-4-yl)methylidene]hydroxylamine
CID 137180821
(N2Z,N6Z)-2-N,6-N-bis[phenyl(pyridin-2-yl)methylidene]pyridine-2,6-dicarbohydrazonate
CID 102083866
N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine
CID 6512079
N-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]aniline
CID 90750813
2-amino-3-[[phenyl(pyridin-2-yl)methylidene]amino]naphthalene-1,4-dione
CID 101381338
methyl N-[[phenyl(pyridin-2-yl)methylidene]amino]carbamate
CID 5103078
1-O-(benzhydrylideneamino) 4-O-[(E)-[phenyl(pyridin-2-yl)methylidene]amino] butanedioate
CID 59685826

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[4-[[4-[[phenyl(pyridin-2-yl)methylidene]amino]phenyl]methyl]phenyl]-1-pyridin-2-ylmethanimine?
The IUPAC name of 1-phenyl-N-[4-[[4-[[phenyl(pyridin-2-yl)methylidene]amino]phenyl]methyl]phenyl]-1-pyridin-2-ylmethanimine (CID 86041704) is 1-phenyl-N-[4-[[4-[[phenyl(pyridin-2-yl)methylidene]amino]phenyl]methyl]phenyl]-1-pyridin-2-ylmethanimine.
What is the SMILES notation for 1-phenyl-N-[4-[[4-[[phenyl(pyridin-2-yl)methylidene]amino]phenyl]methyl]phenyl]-1-pyridin-2-ylmethanimine?
The canonical SMILES for 1-phenyl-N-[4-[[4-[[phenyl(pyridin-2-yl)methylidene]amino]phenyl]methyl]phenyl]-1-pyridin-2-ylmethanimine is c1ccc(/C(=N\c2ccc(Cc3ccc(/N=C(\c4ccccc4)c4ccccn4)cc3)cc2)c2ccccn2)cc1.
What is the InChIKey of 1-phenyl-N-[4-[[4-[[phenyl(pyridin-2-yl)methylidene]amino]phenyl]methyl]phenyl]-1-pyridin-2-ylmethanimine?
The InChIKey is LVJUQGOFQCYZNL-NPNTWUCNSA-N. The full InChI is InChI=1S/C37H28N4/c1-3-11-30(12-4-1)36(34-15-7-9-25-38-34)40-32-21-17-28(18-22-32)27-29-19-23-33(24-20-29)41-37(31-13-5-2-6-14-31)35-16-8-10-26-39-35/h1-26H,27H2/b40-36+,41-37+.
What are the key properties of 1-phenyl-N-[4-[[4-[[phenyl(pyridin-2-yl)methylidene]amino]phenyl]methyl]phenyl]-1-pyridin-2-ylmethanimine?
1-phenyl-N-[4-[[4-[[phenyl(pyridin-2-yl)methylidene]amino]phenyl]methyl]phenyl]-1-pyridin-2-ylmethanimine has a molecular weight of 528.66 g/mol, XLogP of 8.41, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[4-[[4-[[phenyl(pyridin-2-yl)methylidene]amino]phenyl]methyl]phenyl]-1-pyridin-2-ylmethanimine is sourced from PubChem (CID 86041704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).