carbon monoxide;(E)-N,4-diphenylbut-3-en-2-imine;iron

C19H15FeNO3 — CID 11111198

IUPACcarbon monoxide;(E)-N,4-diphenylbut-3-en-2-imine;iron
SMILESCC(/C=C/c1ccccc1)=N\c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]
InChIInChI=1S/C16H15N.3CO.Fe/c1-14(17-16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15;3*1-2;/h2-13H,1H3;;;;/b13-12+,17-14+;;;;
InChIKeyPCTCDVFESBICHH-NSPMPRMCSA-N
MW361.18 g/mol
LogP4.38
Rot. Bonds3

About carbon monoxide;(E)-N,4-diphenylbut-3-en-2-imine;iron

carbon monoxide;(E)-N,4-diphenylbut-3-en-2-imine;iron (PubChem CID 11111198) has the molecular formula C19H15FeNO3 and a molecular weight of 361.18 g/mol. Its IUPAC name is carbon monoxide;(E)-N,4-diphenylbut-3-en-2-imine;iron.

Molecular Properties

Compound Namecarbon monoxide;(E)-N,4-diphenylbut-3-en-2-imine;iron
PubChem CID11111198
Molecular FormulaC19H15FeNO3
Molecular Weight361.18 g/mol
Exact Mass361.04
IUPAC Namecarbon monoxide;(E)-N,4-diphenylbut-3-en-2-imine;iron
SMILESCC(/C=C/c1ccccc1)=N\c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]
InChIInChI=1S/C16H15N.3CO.Fe/c1-14(17-16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15;3*1-2;/h2-13H,1H3;;;;/b13-12+,17-14+;;;;
InChIKeyPCTCDVFESBICHH-NSPMPRMCSA-N
XLogP4.38
TPSA72.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.18
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N,4-diphenylbut-3-en-2-imine
CID 5382915
(E)-[(Z)-4-phenylbut-3-en-2-ylidene]hydrazine
CID 92531836
(NE)-N-(4-phenylbut-3-en-2-ylidene)hydroxylamine
CID 6738838
(Z)-[(Z)-4-phenylbut-3-en-2-ylidene]hydrazine
CID 92531835
N-methyl-4-phenylbut-3-en-2-imine
CID 15325561
(E)-4-phenyl-N-[4-[[(E)-4-phenylbut-3-en-2-ylidene]amino]hexa-1,5-dien-3-yl]but-3-en-2-imine
CID 146321202
(E)-4-phenyl-2-phenyliminobut-3-enoic acid
CID 24975123
N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]aniline
CID 6256661
methyl N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]carbamate
CID 7072066
1,3-bis[(E)-4-phenylbut-3-en-2-ylideneamino]thiourea
CID 5466074
carbon monoxide;iron;2-methylprop-1-enylbenzene
CID 10945570
2-tert-butyl-4-phenylbuta-1,3-dien-1-one;carbon monoxide;iron
CID 85358331

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;(E)-N,4-diphenylbut-3-en-2-imine;iron?
The IUPAC name of carbon monoxide;(E)-N,4-diphenylbut-3-en-2-imine;iron (CID 11111198) is carbon monoxide;(E)-N,4-diphenylbut-3-en-2-imine;iron.
What is the SMILES notation for carbon monoxide;(E)-N,4-diphenylbut-3-en-2-imine;iron?
The canonical SMILES for carbon monoxide;(E)-N,4-diphenylbut-3-en-2-imine;iron is CC(/C=C/c1ccccc1)=N\c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].
What is the InChIKey of carbon monoxide;(E)-N,4-diphenylbut-3-en-2-imine;iron?
The InChIKey is PCTCDVFESBICHH-NSPMPRMCSA-N. The full InChI is InChI=1S/C16H15N.3CO.Fe/c1-14(17-16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15;3*1-2;/h2-13H,1H3;;;;/b13-12+,17-14+;;;;.
What are the key properties of carbon monoxide;(E)-N,4-diphenylbut-3-en-2-imine;iron?
carbon monoxide;(E)-N,4-diphenylbut-3-en-2-imine;iron has a molecular weight of 361.18 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;(E)-N,4-diphenylbut-3-en-2-imine;iron is sourced from PubChem (CID 11111198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).