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

C48H58F3I3N10O4Pt2-3 — CID 157128927

IUPACbis([(1R,2R)-2-azanidylcyclohexyl]azanide);diiodoplatinum(2+);bis(N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide);iodoplatinum;2,2,2-trifluoroacetate
SMILESI[Pt+2]I.I[Pt].O=C(Cc1ccncc1)NCCc1c[nH]c2ccccc12.O=C(Cc1ccncc1)NCCc1c[nH]c2ccccc12.O=C([O-])C(F)(F)F.[NH-][C@@H]1CCCC[C@H]1[NH-].[NH-][C@@H]1CCCC[C@H]1[NH-]
InChIInChI=1S/2C17H17N3O.2C6H12N2.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*7-5-3-1-2-4-6(5)8;3-2(4,5)1(6)7;;;;;/h2*1-6,8-9,12,20H,7,10-11H2,(H,19,21);2*5-8H,1-4H2;(H,6,7);3*1H;;/q;;2*-2;;;;;+1;+4/p-4/t;;2*5-,6-;;;;;;/m..11....../s1
InChIKeyPBNWEHOUQCMVED-UQOCFUCASA-J
MW1666.92 g/mol
LogP11.68
Rot. Bonds10

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

bis([(1R,2R)-2-azanidylcyclohexyl]azanide);diiodoplatinum(2+);bis(N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide);iodoplatinum;2,2,2-trifluoroacetate (PubChem CID 157128927) has the molecular formula C48H58F3I3N10O4Pt2-3 and a molecular weight of 1666.92 g/mol. Its IUPAC name is bis([(1R,2R)-2-azanidylcyclohexyl]azanide);diiodoplatinum(2+);bis(N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide);iodoplatinum;2,2,2-trifluoroacetate.

Molecular Properties

Compound Namebis([(1R,2R)-2-azanidylcyclohexyl]azanide);diiodoplatinum(2+);bis(N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide);iodoplatinum;2,2,2-trifluoroacetate
PubChem CID157128927
Molecular FormulaC48H58F3I3N10O4Pt2-3
Molecular Weight1666.92 g/mol
Exact Mass1666.10
IUPAC Namebis([(1R,2R)-2-azanidylcyclohexyl]azanide);diiodoplatinum(2+);bis(N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide);iodoplatinum;2,2,2-trifluoroacetate
SMILESI[Pt+2]I.I[Pt].O=C(Cc1ccncc1)NCCc1c[nH]c2ccccc12.O=C(Cc1ccncc1)NCCc1c[nH]c2ccccc12.O=C([O-])C(F)(F)F.[NH-][C@@H]1CCCC[C@H]1[NH-].[NH-][C@@H]1CCCC[C@H]1[NH-]
InChIInChI=1S/2C17H17N3O.2C6H12N2.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*7-5-3-1-2-4-6(5)8;3-2(4,5)1(6)7;;;;;/h2*1-6,8-9,12,20H,7,10-11H2,(H,19,21);2*5-8H,1-4H2;(H,6,7);3*1H;;/q;;2*-2;;;;;+1;+4/p-4/t;;2*5-,6-;;;;;;/m..11....../s1
InChIKeyPBNWEHOUQCMVED-UQOCFUCASA-J
XLogP11.68
TPSA250.89 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001666.92
LogP ≤ 511.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis([(1R,2R)-2-azanidylcyclohexyl]azanide);diiodoplatinum(2+);bis(N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide);iodoplatinum;2,2,2-trifluoroacetate?
The IUPAC name of bis([(1R,2R)-2-azanidylcyclohexyl]azanide);diiodoplatinum(2+);bis(N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide);iodoplatinum;2,2,2-trifluoroacetate (CID 157128927) is bis([(1R,2R)-2-azanidylcyclohexyl]azanide);diiodoplatinum(2+);bis(N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide);iodoplatinum;2,2,2-trifluoroacetate.
What is the SMILES notation for bis([(1R,2R)-2-azanidylcyclohexyl]azanide);diiodoplatinum(2+);bis(N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide);iodoplatinum;2,2,2-trifluoroacetate?
The canonical SMILES for bis([(1R,2R)-2-azanidylcyclohexyl]azanide);diiodoplatinum(2+);bis(N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide);iodoplatinum;2,2,2-trifluoroacetate is 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.[NH-][C@@H]1CCCC[C@H]1[NH-].[NH-][C@@H]1CCCC[C@H]1[NH-].
What is the InChIKey of bis([(1R,2R)-2-azanidylcyclohexyl]azanide);diiodoplatinum(2+);bis(N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide);iodoplatinum;2,2,2-trifluoroacetate?
The InChIKey is PBNWEHOUQCMVED-UQOCFUCASA-J. The full InChI is InChI=1S/2C17H17N3O.2C6H12N2.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*7-5-3-1-2-4-6(5)8;3-2(4,5)1(6)7;;;;;/h2*1-6,8-9,12,20H,7,10-11H2,(H,19,21);2*5-8H,1-4H2;(H,6,7);3*1H;;/q;;2*-2;;;;;+1;+4/p-4/t;;2*5-,6-;;;;;;/m..11....../s1.
What are the key properties of bis([(1R,2R)-2-azanidylcyclohexyl]azanide);diiodoplatinum(2+);bis(N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide);iodoplatinum;2,2,2-trifluoroacetate?
bis([(1R,2R)-2-azanidylcyclohexyl]azanide);diiodoplatinum(2+);bis(N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide);iodoplatinum;2,2,2-trifluoroacetate has a molecular weight of 1666.92 g/mol, XLogP of 11.68, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis([(1R,2R)-2-azanidylcyclohexyl]azanide);diiodoplatinum(2+);bis(N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide);iodoplatinum;2,2,2-trifluoroacetate is sourced from PubChem (CID 157128927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).