[7,8-bis(ethenyl)-4-methanimidoyl-1,10-phenanthrolin-3-yl]methanimine

C18H14N4 — CID 163973866

IUPAC[7,8-bis(ethenyl)-4-methanimidoyl-1,10-phenanthrolin-3-yl]methanimine
SMILES[H]/N=C/c1cnc2c(ccc3c(C=C)c(C=C)cnc32)c1/C=N/[H]
InChIInChI=1S/C18H14N4/c1-3-11-9-21-17-14(13(11)4-2)5-6-15-16(8-20)12(7-19)10-22-18(15)17/h3-10,19-20H,1-2H2/b19-7+,20-8+
InChIKeySSJIRNUQFFQIOG-OKXCLTPOSA-N
MW286.34 g/mol
LogP4.06
Rot. Bonds4

About [7,8-bis(ethenyl)-4-methanimidoyl-1,10-phenanthrolin-3-yl]methanimine

[7,8-bis(ethenyl)-4-methanimidoyl-1,10-phenanthrolin-3-yl]methanimine (PubChem CID 163973866) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is [7,8-bis(ethenyl)-4-methanimidoyl-1,10-phenanthrolin-3-yl]methanimine.

Molecular Properties

Compound Name[7,8-bis(ethenyl)-4-methanimidoyl-1,10-phenanthrolin-3-yl]methanimine
PubChem CID163973866
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name[7,8-bis(ethenyl)-4-methanimidoyl-1,10-phenanthrolin-3-yl]methanimine
SMILES[H]/N=C/c1cnc2c(ccc3c(C=C)c(C=C)cnc32)c1/C=N/[H]
InChIInChI=1S/C18H14N4/c1-3-11-9-21-17-14(13(11)4-2)5-6-15-16(8-20)12(7-19)10-22-18(15)17/h3-10,19-20H,1-2H2/b19-7+,20-8+
InChIKeySSJIRNUQFFQIOG-OKXCLTPOSA-N
XLogP4.06
TPSA73.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

ethane;[4,5,6-tris(ethenyl)-3-pyridinyl]methanimine
CID 145322463
(2-ethenyl-6-methylphenyl)methanimine
CID 156888236
(2-ethenyl-4,6-dimethylphenyl)methanimine
CID 142023097
(2-ethenyl-1H-pyrrol-3-yl)methanimine
CID 142384190
(1-chloro-5,6,7,8-tetrahydroisoquinolin-4-yl)methanimine
CID 121463135
quinoxalin-5-ylmethanimine
CID 155311629
4,5-bis(ethenyl)-2-phenylpyridin-3-amine
CID 145126338
(4-methanimidoylpyrimidin-5-yl)methanimine
CID 163823387
3,4-bis(ethenyl)-7-pyrrolo[3,2-b]pyridin-1-ylquinoline
CID 167513406
(2-iodophenyl)methanimine
CID 91565501
3-chloro-6,7-bis(ethenyl)cyclohepta[b]pyridin-5-one
CID 143383552
osmium;bis(2-pyridin-2-ylpyridine);3,4,5-tris(ethenyl)-2-pyridin-2-ylpyridine;dihydrochloride
CID 173320547

Frequently Asked Questions

What is the IUPAC name of [7,8-bis(ethenyl)-4-methanimidoyl-1,10-phenanthrolin-3-yl]methanimine?
The IUPAC name of [7,8-bis(ethenyl)-4-methanimidoyl-1,10-phenanthrolin-3-yl]methanimine (CID 163973866) is [7,8-bis(ethenyl)-4-methanimidoyl-1,10-phenanthrolin-3-yl]methanimine.
What is the SMILES notation for [7,8-bis(ethenyl)-4-methanimidoyl-1,10-phenanthrolin-3-yl]methanimine?
The canonical SMILES for [7,8-bis(ethenyl)-4-methanimidoyl-1,10-phenanthrolin-3-yl]methanimine is [H]/N=C/c1cnc2c(ccc3c(C=C)c(C=C)cnc32)c1/C=N/[H].
What is the InChIKey of [7,8-bis(ethenyl)-4-methanimidoyl-1,10-phenanthrolin-3-yl]methanimine?
The InChIKey is SSJIRNUQFFQIOG-OKXCLTPOSA-N. The full InChI is InChI=1S/C18H14N4/c1-3-11-9-21-17-14(13(11)4-2)5-6-15-16(8-20)12(7-19)10-22-18(15)17/h3-10,19-20H,1-2H2/b19-7+,20-8+.
What are the key properties of [7,8-bis(ethenyl)-4-methanimidoyl-1,10-phenanthrolin-3-yl]methanimine?
[7,8-bis(ethenyl)-4-methanimidoyl-1,10-phenanthrolin-3-yl]methanimine has a molecular weight of 286.34 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7,8-bis(ethenyl)-4-methanimidoyl-1,10-phenanthrolin-3-yl]methanimine is sourced from PubChem (CID 163973866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).