(1,3-dicyclohexylimidazol-2-ylidene)platinum;N,N-diiodo-1-(4-methylphenyl)methanamine

C23H33I2N3Pt — CID 87352500

IUPAC(1,3-dicyclohexylimidazol-2-ylidene)platinum;N,N-diiodo-1-(4-methylphenyl)methanamine
SMILESCc1ccc(CN(I)I)cc1.[Pt]=c1n(C2CCCCC2)ccn1C1CCCCC1
InChIInChI=1S/C15H24N2.C8H9I2N.Pt/c1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;1-7-2-4-8(5-3-7)6-11(9)10;/h11-12,14-15H,1-10H2;2-5H,6H2,1H3;
InChIKeyDXDFYITZAMEINN-UHFFFAOYSA-N
MW800.42 g/mol
LogP7.88
Rot. Bonds4

About (1,3-dicyclohexylimidazol-2-ylidene)platinum;N,N-diiodo-1-(4-methylphenyl)methanamine

(1,3-dicyclohexylimidazol-2-ylidene)platinum;N,N-diiodo-1-(4-methylphenyl)methanamine (PubChem CID 87352500) has the molecular formula C23H33I2N3Pt and a molecular weight of 800.42 g/mol. Its IUPAC name is (1,3-dicyclohexylimidazol-2-ylidene)platinum;N,N-diiodo-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound Name(1,3-dicyclohexylimidazol-2-ylidene)platinum;N,N-diiodo-1-(4-methylphenyl)methanamine
PubChem CID87352500
Molecular FormulaC23H33I2N3Pt
Molecular Weight800.42 g/mol
Exact Mass800.04
IUPAC Name(1,3-dicyclohexylimidazol-2-ylidene)platinum;N,N-diiodo-1-(4-methylphenyl)methanamine
SMILESCc1ccc(CN(I)I)cc1.[Pt]=c1n(C2CCCCC2)ccn1C1CCCCC1
InChIInChI=1S/C15H24N2.C8H9I2N.Pt/c1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;1-7-2-4-8(5-3-7)6-11(9)10;/h11-12,14-15H,1-10H2;2-5H,6H2,1H3;
InChIKeyDXDFYITZAMEINN-UHFFFAOYSA-N
XLogP7.88
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500800.42
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1,3-dicyclohexylimidazol-2-ylidene)platinum;N,N-diiodo-1-(4-methylphenyl)methanamine?
The IUPAC name of (1,3-dicyclohexylimidazol-2-ylidene)platinum;N,N-diiodo-1-(4-methylphenyl)methanamine (CID 87352500) is (1,3-dicyclohexylimidazol-2-ylidene)platinum;N,N-diiodo-1-(4-methylphenyl)methanamine.
What is the SMILES notation for (1,3-dicyclohexylimidazol-2-ylidene)platinum;N,N-diiodo-1-(4-methylphenyl)methanamine?
The canonical SMILES for (1,3-dicyclohexylimidazol-2-ylidene)platinum;N,N-diiodo-1-(4-methylphenyl)methanamine is Cc1ccc(CN(I)I)cc1.[Pt]=c1n(C2CCCCC2)ccn1C1CCCCC1.
What is the InChIKey of (1,3-dicyclohexylimidazol-2-ylidene)platinum;N,N-diiodo-1-(4-methylphenyl)methanamine?
The InChIKey is DXDFYITZAMEINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2.C8H9I2N.Pt/c1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;1-7-2-4-8(5-3-7)6-11(9)10;/h11-12,14-15H,1-10H2;2-5H,6H2,1H3;.
What are the key properties of (1,3-dicyclohexylimidazol-2-ylidene)platinum;N,N-diiodo-1-(4-methylphenyl)methanamine?
(1,3-dicyclohexylimidazol-2-ylidene)platinum;N,N-diiodo-1-(4-methylphenyl)methanamine has a molecular weight of 800.42 g/mol, XLogP of 7.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dicyclohexylimidazol-2-ylidene)platinum;N,N-diiodo-1-(4-methylphenyl)methanamine is sourced from PubChem (CID 87352500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).