[2-methyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]propyl]-(pyridin-2-ylmethyl)azanide;[2-phenyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]ethyl]-(pyridin-2-ylmethyl)azanide;tris(platinum(2+));pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide

C91H93N15OPt3 — CID 159666348

About [2-methyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]propyl]-(pyridin-2-ylmethyl)azanide;[2-phenyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]ethyl]-(pyridin-2-ylmethyl)azanide;tris(platinum(2+));pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide

[2-methyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]propyl]-(pyridin-2-ylmethyl)azanide;[2-phenyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]ethyl]-(pyridin-2-ylmethyl)azanide;tris(platinum(2+));pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide (PubChem CID 159666348) has the molecular formula C91H93N15OPt3 and a molecular weight of 1998.08 g/mol. Its IUPAC name is [2-methyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]propyl]-(pyridin-2-ylmethyl)azanide;[2-phenyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]ethyl]-(pyridin-2-ylmethyl)azanide;tris(platinum(2+));pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide.

Molecular Properties

• Compound Name: [2-methyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]propyl]-(pyridin-2-ylmethyl)azanide;[2-phenyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]ethyl]-(pyridin-2-ylmethyl)azanide;tris(platinum(2+));pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide
• PubChem CID: 159666348
• Molecular Formula: C91H93N15OPt3
• Molecular Weight: 1998.08 g/mol
• Exact Mass: 1996.66
• IUPAC Name: [2-methyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]propyl]-(pyridin-2-ylmethyl)azanide;[2-phenyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]ethyl]-(pyridin-2-ylmethyl)azanide;tris(platinum(2+));pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide
• SMILES: CC(C)(C[N-]Cc1ccccn1)c1cc2ccccc2c(-c2[n-]nc3c2C2CCC3(C)C2(C)C)n1.CC12CCC(c3c1n[n-]c3-c1nc(C(C[N-]Cc3ccccn3)c3ccccc3)cc3ccccc13)C2(C)C.CC12CCC(c3c1n[n-]c3-c1nc(OC[N-]Cc3ccccn3)cc3ccccc13)C2(C)C.[Pt+2].[Pt+2].[Pt+2]
• InChI: InChI=1S/C34H33N5.C30H33N5.C27H27N5O.3Pt/c1-33(2)27-16-17-34(33,3)32-29(27)31(38-39-32)30-25-15-8-7-13-23(25)19-28(37-30)26(22-11-5-4-6-12-22)21-35-20-24-14-9-10-18-36-24;1-28(2,18-31-17-20-11-8-9-15-32-20)23-16-19-10-6-7-12-21(19)25(33-23)26-24-22-13-14-30(5,29(22,3)4)27(24)35-34-26;1-26(2)20-11-12-27(26,3)25-22(20)24(31-32-25)23-19-10-5-4-8-17(19)14-21(30-23)33-16-28-15-18-9-6-7-13-29-18;;;/h4-15,18-19,26-27H,16-17,20-21H2,1-3H3;6-12,15-16,22H,13-14,17-18H2,1-5H3;4-10,13-14,20H,11-12,15-16H2,1-3H3;;;/q3*-2;3*+2
• InChIKey: MTLJZKBIWDVCBE-UHFFFAOYSA-N
• XLogP: 19.93
• TPSA: 209.84 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 19
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1998.08
LogP ≤ 5	19.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]propyl]-(pyridin-2-ylmethyl)azanide;[2-phenyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]ethyl]-(pyridin-2-ylmethyl)azanide;tris(platinum(2+));pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide?

The IUPAC name of [2-methyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]propyl]-(pyridin-2-ylmethyl)azanide;[2-phenyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]ethyl]-(pyridin-2-ylmethyl)azanide;tris(platinum(2+));pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide (CID 159666348) is [2-methyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]propyl]-(pyridin-2-ylmethyl)azanide;[2-phenyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]ethyl]-(pyridin-2-ylmethyl)azanide;tris(platinum(2+));pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide.

What is the SMILES notation for [2-methyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]propyl]-(pyridin-2-ylmethyl)azanide;[2-phenyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]ethyl]-(pyridin-2-ylmethyl)azanide;tris(platinum(2+));pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide?

The canonical SMILES for [2-methyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]propyl]-(pyridin-2-ylmethyl)azanide;[2-phenyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]ethyl]-(pyridin-2-ylmethyl)azanide;tris(platinum(2+));pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide is CC(C)(C[N-]Cc1ccccn1)c1cc2ccccc2c(-c2[n-]nc3c2C2CCC3(C)C2(C)C)n1.CC12CCC(c3c1n[n-]c3-c1nc(C(C[N-]Cc3ccccn3)c3ccccc3)cc3ccccc13)C2(C)C.CC12CCC(c3c1n[n-]c3-c1nc(OC[N-]Cc3ccccn3)cc3ccccc13)C2(C)C.[Pt+2].[Pt+2].[Pt+2].

What is the InChIKey of [2-methyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]propyl]-(pyridin-2-ylmethyl)azanide;[2-phenyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]ethyl]-(pyridin-2-ylmethyl)azanide;tris(platinum(2+));pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide?

The InChIKey is MTLJZKBIWDVCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N5.C30H33N5.C27H27N5O.3Pt/c1-33(2)27-16-17-34(33,3)32-29(27)31(38-39-32)30-25-15-8-7-13-23(25)19-28(37-30)26(22-11-5-4-6-12-22)21-35-20-24-14-9-10-18-36-24;1-28(2,18-31-17-20-11-8-9-15-32-20)23-16-19-10-6-7-12-21(19)25(33-23)26-24-22-13-14-30(5,29(22,3)4)27(24)35-34-26;1-26(2)20-11-12-27(26,3)25-22(20)24(31-32-25)23-19-10-5-4-8-17(19)14-21(30-23)33-16-28-15-18-9-6-7-13-29-18;;;/h4-15,18-19,26-27H,16-17,20-21H2,1-3H3;6-12,15-16,22H,13-14,17-18H2,1-5H3;4-10,13-14,20H,11-12,15-16H2,1-3H3;;;/q3*-2;3*+2.

What are the key properties of [2-methyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]propyl]-(pyridin-2-ylmethyl)azanide;[2-phenyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]ethyl]-(pyridin-2-ylmethyl)azanide;tris(platinum(2+));pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide?

[2-methyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]propyl]-(pyridin-2-ylmethyl)azanide;[2-phenyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]ethyl]-(pyridin-2-ylmethyl)azanide;tris(platinum(2+));pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide has a molecular weight of 1998.08 g/mol, XLogP of 19.93, 19 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [2-methyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]propyl]-(pyridin-2-ylmethyl)azanide;[2-phenyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]ethyl]-(pyridin-2-ylmethyl)azanide;tris(platinum(2+));pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide is sourced from PubChem (CID 159666348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).