carbanide;bis(5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);platinum;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)

C151H154F3N30Pt5-9 — CID 161059161

IUPACcarbanide;bis(5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);platinum;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)
SMILESCC12CCC(c3c1n[n-]c3-c1cc3ccccc3cn1)C2(C)C.CC12CCC(c3c1n[n-]c3-c1cc3ccccc3cn1)C2(C)C.CC12CCC(c3c1n[n-]c3-c1ccccn1)C2(C)C.CC12CCC(c3c1n[n-]c3-c1ccccn1)C2(C)C.CC12CCC(c3c1n[n-]c3-c1nccc3ccccc13)C2(C)C.CC12CCC(c3c1n[n-]c3-c1nccc3ccccc13)C2(C)C.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[CH3-].[CH3-].[CH3-].[Pt+2].[Pt+2].[Pt].[Pt].[Pt]
InChIInChI=1S/4C20H20N3.2C16H18N3.C9H5F3N3.3C9H8N3.3CH3.5Pt/c2*1-19(2)14-8-10-20(19,3)18-15(14)17(22-23-18)16-13-7-5-4-6-12(13)9-11-21-16;2*1-19(2)14-8-9-20(19,3)18-16(14)17(22-23-18)15-10-12-6-4-5-7-13(12)11-21-15;2*1-15(2)10-7-8-16(15,3)14-12(10)13(18-19-14)11-6-4-5-9-17-11;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;3*1-7-6-9(12-11-7)8-4-2-3-5-10-8;;;;;;;;/h2*4-7,9,11,14H,8,10H2,1-3H3;2*4-7,10-11,14H,8-9H2,1-3H3;2*4-6,9-10H,7-8H2,1-3H3;1-5H;3*2-6H,1H3;3*1H3;;;;;/q13*-1;;;;2*+2
InChIKeyRZUIGUPSRJPNIP-UHFFFAOYSA-N
MW3421.49 g/mol
LogP31.95
Rot. Bonds10

About carbanide;bis(5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);platinum;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)

carbanide;bis(5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);platinum;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene) (PubChem CID 161059161) has the molecular formula C151H154F3N30Pt5-9 and a molecular weight of 3421.49 g/mol. Its IUPAC name is carbanide;bis(5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);platinum;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene).

Molecular Properties

Compound Namecarbanide;bis(5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);platinum;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)
PubChem CID161059161
Molecular FormulaC151H154F3N30Pt5-9
Molecular Weight3421.49 g/mol
Exact Mass3419.12
IUPAC Namecarbanide;bis(5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);platinum;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)
SMILESCC12CCC(c3c1n[n-]c3-c1cc3ccccc3cn1)C2(C)C.CC12CCC(c3c1n[n-]c3-c1cc3ccccc3cn1)C2(C)C.CC12CCC(c3c1n[n-]c3-c1ccccn1)C2(C)C.CC12CCC(c3c1n[n-]c3-c1ccccn1)C2(C)C.CC12CCC(c3c1n[n-]c3-c1nccc3ccccc13)C2(C)C.CC12CCC(c3c1n[n-]c3-c1nccc3ccccc13)C2(C)C.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[CH3-].[CH3-].[CH3-].[Pt+2].[Pt+2].[Pt].[Pt].[Pt]
InChIInChI=1S/4C20H20N3.2C16H18N3.C9H5F3N3.3C9H8N3.3CH3.5Pt/c2*1-19(2)14-8-10-20(19,3)18-15(14)17(22-23-18)16-13-7-5-4-6-12(13)9-11-21-16;2*1-19(2)14-8-9-20(19,3)18-16(14)17(22-23-18)15-10-12-6-4-5-7-13(12)11-21-15;2*1-15(2)10-7-8-16(15,3)14-12(10)13(18-19-14)11-6-4-5-9-17-11;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;3*1-7-6-9(12-11-7)8-4-2-3-5-10-8;;;;;;;;/h2*4-7,9,11,14H,8,10H2,1-3H3;2*4-7,10-11,14H,8-9H2,1-3H3;2*4-6,9-10H,7-8H2,1-3H3;1-5H;3*2-6H,1H3;3*1H3;;;;;/q13*-1;;;;2*+2
InChIKeyRZUIGUPSRJPNIP-UHFFFAOYSA-N
XLogP31.95
TPSA398.80 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds10
Heavy Atoms189
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003421.49
LogP ≤ 531.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze carbanide;bis(5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);platinum;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene) with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of carbanide;bis(5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);platinum;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)?
The IUPAC name of carbanide;bis(5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);platinum;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene) (CID 161059161) is carbanide;bis(5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);platinum;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene).
What is the SMILES notation for carbanide;bis(5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);platinum;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)?
The canonical SMILES for carbanide;bis(5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);platinum;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene) is CC12CCC(c3c1n[n-]c3-c1cc3ccccc3cn1)C2(C)C.CC12CCC(c3c1n[n-]c3-c1cc3ccccc3cn1)C2(C)C.CC12CCC(c3c1n[n-]c3-c1ccccn1)C2(C)C.CC12CCC(c3c1n[n-]c3-c1ccccn1)C2(C)C.CC12CCC(c3c1n[n-]c3-c1nccc3ccccc13)C2(C)C.CC12CCC(c3c1n[n-]c3-c1nccc3ccccc13)C2(C)C.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[CH3-].[CH3-].[CH3-].[Pt+2].[Pt+2].[Pt].[Pt].[Pt].
What is the InChIKey of carbanide;bis(5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);platinum;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)?
The InChIKey is RZUIGUPSRJPNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/4C20H20N3.2C16H18N3.C9H5F3N3.3C9H8N3.3CH3.5Pt/c2*1-19(2)14-8-10-20(19,3)18-15(14)17(22-23-18)16-13-7-5-4-6-12(13)9-11-21-16;2*1-19(2)14-8-9-20(19,3)18-16(14)17(22-23-18)15-10-12-6-4-5-7-13(12)11-21-15;2*1-15(2)10-7-8-16(15,3)14-12(10)13(18-19-14)11-6-4-5-9-17-11;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;3*1-7-6-9(12-11-7)8-4-2-3-5-10-8;;;;;;;;/h2*4-7,9,11,14H,8,10H2,1-3H3;2*4-7,10-11,14H,8-9H2,1-3H3;2*4-6,9-10H,7-8H2,1-3H3;1-5H;3*2-6H,1H3;3*1H3;;;;;/q13*-1;;;;2*+2.
What are the key properties of carbanide;bis(5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);platinum;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)?
carbanide;bis(5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);platinum;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene) has a molecular weight of 3421.49 g/mol, XLogP of 31.95, 10 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);platinum;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene) is sourced from PubChem (CID 161059161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).