diiodoplatinum(2+);bis(N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide);iodoplatinum;bis(methyl(2-methylazanidylethyl)azanide);2,2,2-trifluoroacetate

C44H54F3I3N10O4Pt2-3 — CID 158549384

IUPACdiiodoplatinum(2+);bis(N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide);iodoplatinum;bis(methyl(2-methylazanidylethyl)azanide);2,2,2-trifluoroacetate
SMILESC[N-]CC[N-]C.C[N-]CC[N-]C.I[Pt+2]I.I[Pt].O=C(Cc1ccncc1)NCCc1c[nH]c2ccccc12.O=C(Cc1ccncc1)NCCc1c[nH]c2ccccc12.O=C([O-])C(F)(F)F
InChIInChI=1S/2C17H17N3O.2C4H10N2.C2HF3O2.3HI.2Pt/c2*21-17(11-13-5-8-18-9-6-13)19-10-7-14-12-20-16-4-2-1-3-15(14)16;2*1-5-3-4-6-2;3-2(4,5)1(6)7;;;;;/h2*1-6,8-9,12,20H,7,10-11H2,(H,19,21);2*3-4H2,1-2H3;(H,6,7);3*1H;;/q;;2*-2;;;;;+1;+4/p-4
InChIKeyUKHONZNBFWHYCQ-UHFFFAOYSA-J
MW1614.84 g/mol
LogP8.87
Rot. Bonds16

About diiodoplatinum(2+);bis(N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide);iodoplatinum;bis(methyl(2-methylazanidylethyl)azanide);2,2,2-trifluoroacetate

diiodoplatinum(2+);bis(N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide);iodoplatinum;bis(methyl(2-methylazanidylethyl)azanide);2,2,2-trifluoroacetate (PubChem CID 158549384) has the molecular formula C44H54F3I3N10O4Pt2-3 and a molecular weight of 1614.84 g/mol. Its IUPAC name is diiodoplatinum(2+);bis(N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide);iodoplatinum;bis(methyl(2-methylazanidylethyl)azanide);2,2,2-trifluoroacetate.

Molecular Properties

Compound Namediiodoplatinum(2+);bis(N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide);iodoplatinum;bis(methyl(2-methylazanidylethyl)azanide);2,2,2-trifluoroacetate
PubChem CID158549384
Molecular FormulaC44H54F3I3N10O4Pt2-3
Molecular Weight1614.84 g/mol
Exact Mass1614.07
IUPAC Namediiodoplatinum(2+);bis(N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide);iodoplatinum;bis(methyl(2-methylazanidylethyl)azanide);2,2,2-trifluoroacetate
SMILESC[N-]CC[N-]C.C[N-]CC[N-]C.I[Pt+2]I.I[Pt].O=C(Cc1ccncc1)NCCc1c[nH]c2ccccc12.O=C(Cc1ccncc1)NCCc1c[nH]c2ccccc12.O=C([O-])C(F)(F)F
InChIInChI=1S/2C17H17N3O.2C4H10N2.C2HF3O2.3HI.2Pt/c2*21-17(11-13-5-8-18-9-6-13)19-10-7-14-12-20-16-4-2-1-3-15(14)16;2*1-5-3-4-6-2;3-2(4,5)1(6)7;;;;;/h2*1-6,8-9,12,20H,7,10-11H2,(H,19,21);2*3-4H2,1-2H3;(H,6,7);3*1H;;/q;;2*-2;;;;;+1;+4/p-4
InChIKeyUKHONZNBFWHYCQ-UHFFFAOYSA-J
XLogP8.87
TPSA212.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001614.84
LogP ≤ 58.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diiodoplatinum(2+);bis(N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide);iodoplatinum;bis(methyl(2-methylazanidylethyl)azanide);2,2,2-trifluoroacetate?
The IUPAC name of diiodoplatinum(2+);bis(N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide);iodoplatinum;bis(methyl(2-methylazanidylethyl)azanide);2,2,2-trifluoroacetate (CID 158549384) is diiodoplatinum(2+);bis(N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide);iodoplatinum;bis(methyl(2-methylazanidylethyl)azanide);2,2,2-trifluoroacetate.
What is the SMILES notation for diiodoplatinum(2+);bis(N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide);iodoplatinum;bis(methyl(2-methylazanidylethyl)azanide);2,2,2-trifluoroacetate?
The canonical SMILES for diiodoplatinum(2+);bis(N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide);iodoplatinum;bis(methyl(2-methylazanidylethyl)azanide);2,2,2-trifluoroacetate is C[N-]CC[N-]C.C[N-]CC[N-]C.I[Pt+2]I.I[Pt].O=C(Cc1ccncc1)NCCc1c[nH]c2ccccc12.O=C(Cc1ccncc1)NCCc1c[nH]c2ccccc12.O=C([O-])C(F)(F)F.
What is the InChIKey of diiodoplatinum(2+);bis(N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide);iodoplatinum;bis(methyl(2-methylazanidylethyl)azanide);2,2,2-trifluoroacetate?
The InChIKey is UKHONZNBFWHYCQ-UHFFFAOYSA-J. The full InChI is InChI=1S/2C17H17N3O.2C4H10N2.C2HF3O2.3HI.2Pt/c2*21-17(11-13-5-8-18-9-6-13)19-10-7-14-12-20-16-4-2-1-3-15(14)16;2*1-5-3-4-6-2;3-2(4,5)1(6)7;;;;;/h2*1-6,8-9,12,20H,7,10-11H2,(H,19,21);2*3-4H2,1-2H3;(H,6,7);3*1H;;/q;;2*-2;;;;;+1;+4/p-4.
What are the key properties of diiodoplatinum(2+);bis(N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide);iodoplatinum;bis(methyl(2-methylazanidylethyl)azanide);2,2,2-trifluoroacetate?
diiodoplatinum(2+);bis(N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide);iodoplatinum;bis(methyl(2-methylazanidylethyl)azanide);2,2,2-trifluoroacetate has a molecular weight of 1614.84 g/mol, XLogP of 8.87, 16 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diiodoplatinum(2+);bis(N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide);iodoplatinum;bis(methyl(2-methylazanidylethyl)azanide);2,2,2-trifluoroacetate is sourced from PubChem (CID 158549384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).