N-ethenyl-1-[3-[(5Z)-4-ethenyl-2-methylidene-5-(methylideneamino)octa-3,5,7-trienyl]benzene-2-id-1-yl]prop-2-en-1-imine;platinum(2+)

C23H22N2Pt — CID 59816879

IUPACN-ethenyl-1-[3-[(5Z)-4-ethenyl-2-methylidene-5-(methylideneamino)octa-3,5,7-trienyl]benzene-2-id-1-yl]prop-2-en-1-imine;platinum(2+)
SMILESC=C/C=C(\N=C)C(=[C-]C(=C)Cc1[c-]c(/C(C=C)=N/C=C)ccc1)C=C.[Pt+2]
InChIInChI=1S/C23H22N2.Pt/c1-7-12-23(24-6)20(8-2)16-18(5)15-19-13-11-14-21(17-19)22(9-3)25-10-4;/h7-14H,1-6,15H2;/q-2;+2/b23-12-,25-22+;
InChIKeyMWHIOFYRGRNZSH-PGAPGTKUSA-N
MW521.52 g/mol
LogP5.39
Rot. Bonds10

About N-ethenyl-1-[3-[(5Z)-4-ethenyl-2-methylidene-5-(methylideneamino)octa-3,5,7-trienyl]benzene-2-id-1-yl]prop-2-en-1-imine;platinum(2+)

N-ethenyl-1-[3-[(5Z)-4-ethenyl-2-methylidene-5-(methylideneamino)octa-3,5,7-trienyl]benzene-2-id-1-yl]prop-2-en-1-imine;platinum(2+) (PubChem CID 59816879) has the molecular formula C23H22N2Pt and a molecular weight of 521.52 g/mol. Its IUPAC name is N-ethenyl-1-[3-[(5Z)-4-ethenyl-2-methylidene-5-(methylideneamino)octa-3,5,7-trienyl]benzene-2-id-1-yl]prop-2-en-1-imine;platinum(2+).

Molecular Properties

Compound NameN-ethenyl-1-[3-[(5Z)-4-ethenyl-2-methylidene-5-(methylideneamino)octa-3,5,7-trienyl]benzene-2-id-1-yl]prop-2-en-1-imine;platinum(2+)
PubChem CID59816879
Molecular FormulaC23H22N2Pt
Molecular Weight521.52 g/mol
Exact Mass521.14
IUPAC NameN-ethenyl-1-[3-[(5Z)-4-ethenyl-2-methylidene-5-(methylideneamino)octa-3,5,7-trienyl]benzene-2-id-1-yl]prop-2-en-1-imine;platinum(2+)
SMILESC=C/C=C(\N=C)C(=[C-]C(=C)Cc1[c-]c(/C(C=C)=N/C=C)ccc1)C=C.[Pt+2]
InChIInChI=1S/C23H22N2.Pt/c1-7-12-23(24-6)20(8-2)16-18(5)15-19-13-11-14-21(17-19)22(9-3)25-10-4;/h7-14H,1-6,15H2;/q-2;+2/b23-12-,25-22+;
InChIKeyMWHIOFYRGRNZSH-PGAPGTKUSA-N
XLogP5.39
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.52
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-1-[3-[(5Z)-4-ethenyl-2-methylidene-5-(methylideneamino)octa-3,5,7-trienyl]benzene-2-id-1-yl]prop-2-en-1-imine;platinum(2+)?
The IUPAC name of N-ethenyl-1-[3-[(5Z)-4-ethenyl-2-methylidene-5-(methylideneamino)octa-3,5,7-trienyl]benzene-2-id-1-yl]prop-2-en-1-imine;platinum(2+) (CID 59816879) is N-ethenyl-1-[3-[(5Z)-4-ethenyl-2-methylidene-5-(methylideneamino)octa-3,5,7-trienyl]benzene-2-id-1-yl]prop-2-en-1-imine;platinum(2+).
What is the SMILES notation for N-ethenyl-1-[3-[(5Z)-4-ethenyl-2-methylidene-5-(methylideneamino)octa-3,5,7-trienyl]benzene-2-id-1-yl]prop-2-en-1-imine;platinum(2+)?
The canonical SMILES for N-ethenyl-1-[3-[(5Z)-4-ethenyl-2-methylidene-5-(methylideneamino)octa-3,5,7-trienyl]benzene-2-id-1-yl]prop-2-en-1-imine;platinum(2+) is C=C/C=C(\N=C)C(=[C-]C(=C)Cc1[c-]c(/C(C=C)=N/C=C)ccc1)C=C.[Pt+2].
What is the InChIKey of N-ethenyl-1-[3-[(5Z)-4-ethenyl-2-methylidene-5-(methylideneamino)octa-3,5,7-trienyl]benzene-2-id-1-yl]prop-2-en-1-imine;platinum(2+)?
The InChIKey is MWHIOFYRGRNZSH-PGAPGTKUSA-N. The full InChI is InChI=1S/C23H22N2.Pt/c1-7-12-23(24-6)20(8-2)16-18(5)15-19-13-11-14-21(17-19)22(9-3)25-10-4;/h7-14H,1-6,15H2;/q-2;+2/b23-12-,25-22+;.
What are the key properties of N-ethenyl-1-[3-[(5Z)-4-ethenyl-2-methylidene-5-(methylideneamino)octa-3,5,7-trienyl]benzene-2-id-1-yl]prop-2-en-1-imine;platinum(2+)?
N-ethenyl-1-[3-[(5Z)-4-ethenyl-2-methylidene-5-(methylideneamino)octa-3,5,7-trienyl]benzene-2-id-1-yl]prop-2-en-1-imine;platinum(2+) has a molecular weight of 521.52 g/mol, XLogP of 5.39, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-1-[3-[(5Z)-4-ethenyl-2-methylidene-5-(methylideneamino)octa-3,5,7-trienyl]benzene-2-id-1-yl]prop-2-en-1-imine;platinum(2+) is sourced from PubChem (CID 59816879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).