N-[bis(2-phenylphenyl)methyl]-1-pyridin-2-ylmethanimine;carbanide;iron(2+)

C33H30FeN2 — CID 161291122

IUPACN-[bis(2-phenylphenyl)methyl]-1-pyridin-2-ylmethanimine;carbanide;iron(2+)
SMILESC(=N/C(c1ccccc1-c1ccccc1)c1ccccc1-c1ccccc1)\c1ccccn1.[CH3-].[CH3-].[Fe+2]
InChIInChI=1S/C31H24N2.2CH3.Fe/c1-3-13-24(14-4-1)27-18-7-9-20-29(27)31(33-23-26-17-11-12-22-32-26)30-21-10-8-19-28(30)25-15-5-2-6-16-25;;;/h1-23,31H;2*1H3;/q;2*-1;+2/b33-23+;;;
InChIKeyORONNCJMIXBEBA-ZIAASUELSA-N
MW510.46 g/mol
LogP8.52
Rot. Bonds6

About N-[bis(2-phenylphenyl)methyl]-1-pyridin-2-ylmethanimine;carbanide;iron(2+)

N-[bis(2-phenylphenyl)methyl]-1-pyridin-2-ylmethanimine;carbanide;iron(2+) (PubChem CID 161291122) has the molecular formula C33H30FeN2 and a molecular weight of 510.46 g/mol. Its IUPAC name is N-[bis(2-phenylphenyl)methyl]-1-pyridin-2-ylmethanimine;carbanide;iron(2+).

Molecular Properties

Compound NameN-[bis(2-phenylphenyl)methyl]-1-pyridin-2-ylmethanimine;carbanide;iron(2+)
PubChem CID161291122
Molecular FormulaC33H30FeN2
Molecular Weight510.46 g/mol
Exact Mass510.18
IUPAC NameN-[bis(2-phenylphenyl)methyl]-1-pyridin-2-ylmethanimine;carbanide;iron(2+)
SMILESC(=N/C(c1ccccc1-c1ccccc1)c1ccccc1-c1ccccc1)\c1ccccn1.[CH3-].[CH3-].[Fe+2]
InChIInChI=1S/C31H24N2.2CH3.Fe/c1-3-13-24(14-4-1)27-18-7-9-20-29(27)31(33-23-26-17-11-12-22-32-26)30-21-10-8-19-28(30)25-15-5-2-6-16-25;;;/h1-23,31H;2*1H3;/q;2*-1;+2/b33-23+;;;
InChIKeyORONNCJMIXBEBA-ZIAASUELSA-N
XLogP8.52
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.46
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

carbanide;N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;iron(2+)
CID 147504192
N-[(1R)-1-cyclopenta-1,3-dien-1-ylethyl]-1-pyridin-2-ylmethanimine
CID 101469061
dibromonickel;1-pyridin-2-yl-N-(2,4,6-triphenylphenyl)methanimine
CID 10952302
1,1'-biphenyl;carbanide;cobalt;N-(2-phosphanylethyl)-1-pyridin-2-ylmethanimine
CID 158437244
2-amino-3-(pyridin-2-ylmethylideneamino)butanedinitrile
CID 130279715
2-N-[(E)-pyridin-2-ylmethylideneamino]-3-N-[(Z)-[(3Z)-3-[(Z)-[(3E)-3-[(E)-pyridin-2-ylmethylidenehydrazinylidene]butan-2-ylidene]hydrazinylidene]butan-2-ylidene]amino]butane-2,3-diimine
CID 11979937
N-[(1S)-1-naphthalen-2-ylethyl]-1-pyridin-2-ylmethanimine
CID 100979851
tetrakis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);zinc
CID 139116950
N-(2-phenylethyl)-1-pyridin-2-ylmethanimine
CID 15790389
2-(2-pyridin-2-ylethenyl)pyridine
CID 161029843
N-[(1R)-1-cyclohexylethyl]-1-pyridin-2-ylmethanimine
CID 100979849
N-tert-butyl-1-pyridin-2-ylmethanimine
CID 11389570

Frequently Asked Questions

What is the IUPAC name of N-[bis(2-phenylphenyl)methyl]-1-pyridin-2-ylmethanimine;carbanide;iron(2+)?
The IUPAC name of N-[bis(2-phenylphenyl)methyl]-1-pyridin-2-ylmethanimine;carbanide;iron(2+) (CID 161291122) is N-[bis(2-phenylphenyl)methyl]-1-pyridin-2-ylmethanimine;carbanide;iron(2+).
What is the SMILES notation for N-[bis(2-phenylphenyl)methyl]-1-pyridin-2-ylmethanimine;carbanide;iron(2+)?
The canonical SMILES for N-[bis(2-phenylphenyl)methyl]-1-pyridin-2-ylmethanimine;carbanide;iron(2+) is C(=N/C(c1ccccc1-c1ccccc1)c1ccccc1-c1ccccc1)\c1ccccn1.[CH3-].[CH3-].[Fe+2].
What is the InChIKey of N-[bis(2-phenylphenyl)methyl]-1-pyridin-2-ylmethanimine;carbanide;iron(2+)?
The InChIKey is ORONNCJMIXBEBA-ZIAASUELSA-N. The full InChI is InChI=1S/C31H24N2.2CH3.Fe/c1-3-13-24(14-4-1)27-18-7-9-20-29(27)31(33-23-26-17-11-12-22-32-26)30-21-10-8-19-28(30)25-15-5-2-6-16-25;;;/h1-23,31H;2*1H3;/q;2*-1;+2/b33-23+;;;.
What are the key properties of N-[bis(2-phenylphenyl)methyl]-1-pyridin-2-ylmethanimine;carbanide;iron(2+)?
N-[bis(2-phenylphenyl)methyl]-1-pyridin-2-ylmethanimine;carbanide;iron(2+) has a molecular weight of 510.46 g/mol, XLogP of 8.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(2-phenylphenyl)methyl]-1-pyridin-2-ylmethanimine;carbanide;iron(2+) is sourced from PubChem (CID 161291122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).