N-[phenanthren-9-yl-(6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine

C25H17N3O — CID 142403339

IUPACN-[phenanthren-9-yl-(6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine
SMILESON=C(c1cccc(-c2ccccn2)n1)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C25H17N3O/c29-28-25(24-14-7-13-23(27-24)22-12-5-6-15-26-22)21-16-17-8-1-2-9-18(17)19-10-3-4-11-20(19)21/h1-16,29H
InChIKeyJJQCVWNYTIKKAA-UHFFFAOYSA-N
MW375.43 g/mol
LogP5.68
Rot. Bonds3

About N-[phenanthren-9-yl-(6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine

N-[phenanthren-9-yl-(6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine (PubChem CID 142403339) has the molecular formula C25H17N3O and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[phenanthren-9-yl-(6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[phenanthren-9-yl-(6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine
PubChem CID142403339
Molecular FormulaC25H17N3O
Molecular Weight375.43 g/mol
Exact Mass375.14
IUPAC NameN-[phenanthren-9-yl-(6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine
SMILESON=C(c1cccc(-c2ccccn2)n1)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C25H17N3O/c29-28-25(24-14-7-13-23(27-24)22-12-5-6-15-26-22)21-16-17-8-1-2-9-18(17)19-10-3-4-11-20(19)21/h1-16,29H
InChIKeyJJQCVWNYTIKKAA-UHFFFAOYSA-N
XLogP5.68
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.43
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-[(4-methylphenyl)-(6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine
CID 137283196
(NE)-N-[(6-methoxynaphthalen-2-yl)-(6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine
CID 142403341
(NE)-N-[4-methyl-1-(6-pyridin-2-yl-2-pyridinyl)pentylidene]hydroxylamine
CID 137283183
6-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]-2-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide
CID 139045239
6-pyridin-2-ylpyridine-2-carboxamide
CID 12055775
6-pyridin-2-ylpyridine-2-carbothioamide
CID 3034633
1-[2-hydroxy-3-(6-pyridin-2-yl-2-pyridinyl)naphthalen-1-yl]-3-(6-pyridin-2-yl-2-pyridinyl)naphthalen-2-ol
CID 177474104
cadmium(2+);6-pyridin-2-ylpyridine-2-carbothioamide
CID 20842770
N-[(3-chlorophenyl)-pyridin-2-ylmethylidene]hydroxylamine
CID 142699149
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2,6-dipyridin-2-ylpyridine;trichlorovanadium
CID 20784145
4-[2-(2-phenanthren-9-ylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 166685007

Frequently Asked Questions

What is the IUPAC name of N-[phenanthren-9-yl-(6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine?
The IUPAC name of N-[phenanthren-9-yl-(6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine (CID 142403339) is N-[phenanthren-9-yl-(6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[phenanthren-9-yl-(6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine?
The canonical SMILES for N-[phenanthren-9-yl-(6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine is ON=C(c1cccc(-c2ccccn2)n1)c1cc2ccccc2c2ccccc12.
What is the InChIKey of N-[phenanthren-9-yl-(6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine?
The InChIKey is JJQCVWNYTIKKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N3O/c29-28-25(24-14-7-13-23(27-24)22-12-5-6-15-26-22)21-16-17-8-1-2-9-18(17)19-10-3-4-11-20(19)21/h1-16,29H.
What are the key properties of N-[phenanthren-9-yl-(6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine?
N-[phenanthren-9-yl-(6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine has a molecular weight of 375.43 g/mol, XLogP of 5.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenanthren-9-yl-(6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine is sourced from PubChem (CID 142403339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).