bis(5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);N-(4-octylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;N-(2-phenylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;N-phenyl-3-(1,3-thiazol-2-yl)-N-[3-(1,3-thiazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-amine;tetrakis(platinum(2+))

C134H113N15Pt4S2 — CID 158271223

About bis(5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);N-(4-octylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;N-(2-phenylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;N-phenyl-3-(1,3-thiazol-2-yl)-N-[3-(1,3-thiazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-amine;tetrakis(platinum(2+))

bis(5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);N-(4-octylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;N-(2-phenylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;N-phenyl-3-(1,3-thiazol-2-yl)-N-[3-(1,3-thiazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-amine;tetrakis(platinum(2+)) (PubChem CID 158271223) has the molecular formula C134H113N15Pt4S2 and a molecular weight of 2777.93 g/mol. Its IUPAC name is bis(5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);N-(4-octylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;N-(2-phenylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;N-phenyl-3-(1,3-thiazol-2-yl)-N-[3-(1,3-thiazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-amine;tetrakis(platinum(2+)).

Molecular Properties

• Compound Name: bis(5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);N-(4-octylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;N-(2-phenylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;N-phenyl-3-(1,3-thiazol-2-yl)-N-[3-(1,3-thiazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-amine;tetrakis(platinum(2+))
• PubChem CID: 158271223
• Molecular Formula: C134H113N15Pt4S2
• Molecular Weight: 2777.93 g/mol
• Exact Mass: 2775.73
• IUPAC Name: bis(5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);N-(4-octylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;N-(2-phenylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;N-phenyl-3-(1,3-thiazol-2-yl)-N-[3-(1,3-thiazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-amine;tetrakis(platinum(2+))
• SMILES: CC12CCC(c3c1n[n-]c3-c1nccc3ccccc13)C2(C)C.CC12CCC(c3c1n[n-]c3-c1nccc3ccccc13)C2(C)C.CCCCCCCCc1ccc(N(c2[c-]c(-c3ccccn3)ccc2)c2[c-]c(-c3ccccn3)ccc2)cc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cccc1N(c1[c-]c(-c2ccccn2)ccc1)c1ccccc1-c1ccccc1.[c-]1c(-c2nccs2)cccc1N(c1[c-]c(-c2nccs2)ccc1)c1ccccc1
• InChI: InChI=1S/C36H35N3.C34H23N3.C24H15N3S2.2C20H20N3.4Pt/c1-2-3-4-5-6-7-14-29-21-23-32(24-22-29)39(33-17-12-15-30(27-33)35-19-8-10-25-37-35)34-18-13-16-31(28-34)36-20-9-11-26-38-36;1-2-12-26(13-3-1)31-18-4-5-21-34(31)37(29-16-10-14-27(24-29)32-19-6-8-22-35-32)30-17-11-15-28(25-30)33-20-7-9-23-36-33;1-2-8-20(9-3-1)27(21-10-4-6-18(16-21)23-25-12-14-28-23)22-11-5-7-19(17-22)24-26-13-15-29-24;2*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;;;;/h8-13,15-26H,2-7,14H2,1H3;1-23H;1-15H;2*4-7,9,11,14H,8,10H2,1-3H3;;;;/q3*-2;2*-1;4*+2
• InChIKey: FPCOISCAOBQVAY-UHFFFAOYSA-N
• XLogP: 34.18
• TPSA: 166.82 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 25
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2777.93
LogP ≤ 5	34.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);N-(4-octylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;N-(2-phenylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;N-phenyl-3-(1,3-thiazol-2-yl)-N-[3-(1,3-thiazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-amine;tetrakis(platinum(2+))?

The IUPAC name of bis(5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);N-(4-octylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;N-(2-phenylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;N-phenyl-3-(1,3-thiazol-2-yl)-N-[3-(1,3-thiazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-amine;tetrakis(platinum(2+)) (CID 158271223) is bis(5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);N-(4-octylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;N-(2-phenylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;N-phenyl-3-(1,3-thiazol-2-yl)-N-[3-(1,3-thiazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-amine;tetrakis(platinum(2+)).

What is the SMILES notation for bis(5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);N-(4-octylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;N-(2-phenylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;N-phenyl-3-(1,3-thiazol-2-yl)-N-[3-(1,3-thiazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-amine;tetrakis(platinum(2+))?

The canonical SMILES for bis(5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);N-(4-octylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;N-(2-phenylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;N-phenyl-3-(1,3-thiazol-2-yl)-N-[3-(1,3-thiazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-amine;tetrakis(platinum(2+)) is CC12CCC(c3c1n[n-]c3-c1nccc3ccccc13)C2(C)C.CC12CCC(c3c1n[n-]c3-c1nccc3ccccc13)C2(C)C.CCCCCCCCc1ccc(N(c2[c-]c(-c3ccccn3)ccc2)c2[c-]c(-c3ccccn3)ccc2)cc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cccc1N(c1[c-]c(-c2ccccn2)ccc1)c1ccccc1-c1ccccc1.[c-]1c(-c2nccs2)cccc1N(c1[c-]c(-c2nccs2)ccc1)c1ccccc1.

What is the InChIKey of bis(5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);N-(4-octylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;N-(2-phenylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;N-phenyl-3-(1,3-thiazol-2-yl)-N-[3-(1,3-thiazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-amine;tetrakis(platinum(2+))?

The InChIKey is FPCOISCAOBQVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35N3.C34H23N3.C24H15N3S2.2C20H20N3.4Pt/c1-2-3-4-5-6-7-14-29-21-23-32(24-22-29)39(33-17-12-15-30(27-33)35-19-8-10-25-37-35)34-18-13-16-31(28-34)36-20-9-11-26-38-36;1-2-12-26(13-3-1)31-18-4-5-21-34(31)37(29-16-10-14-27(24-29)32-19-6-8-22-35-32)30-17-11-15-28(25-30)33-20-7-9-23-36-33;1-2-8-20(9-3-1)27(21-10-4-6-18(16-21)23-25-12-14-28-23)22-11-5-7-19(17-22)24-26-13-15-29-24;2*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;;;;/h8-13,15-26H,2-7,14H2,1H3;1-23H;1-15H;2*4-7,9,11,14H,8,10H2,1-3H3;;;;/q3*-2;2*-1;4*+2.

What are the key properties of bis(5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);N-(4-octylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;N-(2-phenylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;N-phenyl-3-(1,3-thiazol-2-yl)-N-[3-(1,3-thiazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-amine;tetrakis(platinum(2+))?

bis(5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);N-(4-octylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;N-(2-phenylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;N-phenyl-3-(1,3-thiazol-2-yl)-N-[3-(1,3-thiazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-amine;tetrakis(platinum(2+)) has a molecular weight of 2777.93 g/mol, XLogP of 34.18, 25 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for bis(5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);N-(4-octylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;N-(2-phenylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;N-phenyl-3-(1,3-thiazol-2-yl)-N-[3-(1,3-thiazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-amine;tetrakis(platinum(2+)) is sourced from PubChem (CID 158271223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).