10-[3-[3-(4-tert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-14-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;platinum

C42H31N5Pt-2 — CID 165164155

About 10-[3-[3-(4-tert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-14-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;platinum

10-[3-[3-(4-tert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-14-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;platinum (PubChem CID 165164155) has the molecular formula C42H31N5Pt-2 and a molecular weight of 800.82 g/mol. Its IUPAC name is 10-[3-[3-(4-tert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-14-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;platinum.

Molecular Properties

• Compound Name: 10-[3-[3-(4-tert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-14-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;platinum
• PubChem CID: 165164155
• Molecular Formula: C42H31N5Pt-2
• Molecular Weight: 800.82 g/mol
• Exact Mass: 800.22
• IUPAC Name: 10-[3-[3-(4-tert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-14-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;platinum
• SMILES: CC(C)(C)c1ccc(-[n+]2[c-]n(-c3[c-]c(-n4c5ccccc5c5cc6c7ccccc7n(-c7[c-]cccc7)c6nc54)ccc3)cc2)cc1.[Pt]
• InChI: InChI=1S/C42H31N5.Pt/c1-42(2,3)29-20-22-30(23-21-29)44-24-25-45(28-44)32-14-11-15-33(26-32)47-39-19-10-8-17-35(39)37-27-36-34-16-7-9-18-38(34)46(40(36)43-41(37)47)31-12-5-4-6-13-31;/h4-12,14-25,27H,1-3H3;/q-2
• InChIKey: BVMINJJZTNSLJR-UHFFFAOYSA-N
• XLogP: 9.04
• TPSA: 31.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	800.82
LogP ≤ 5	9.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10-[3-[3-(4-tert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-14-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;platinum?

The IUPAC name of 10-[3-[3-(4-tert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-14-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;platinum (CID 165164155) is 10-[3-[3-(4-tert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-14-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;platinum.

What is the SMILES notation for 10-[3-[3-(4-tert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-14-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;platinum?

The canonical SMILES for 10-[3-[3-(4-tert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-14-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;platinum is CC(C)(C)c1ccc(-[n+]2[c-]n(-c3[c-]c(-n4c5ccccc5c5cc6c7ccccc7n(-c7[c-]cccc7)c6nc54)ccc3)cc2)cc1.[Pt].

What is the InChIKey of 10-[3-[3-(4-tert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-14-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;platinum?

The InChIKey is BVMINJJZTNSLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31N5.Pt/c1-42(2,3)29-20-22-30(23-21-29)44-24-25-45(28-44)32-14-11-15-33(26-32)47-39-19-10-8-17-35(39)37-27-36-34-16-7-9-18-38(34)46(40(36)43-41(37)47)31-12-5-4-6-13-31;/h4-12,14-25,27H,1-3H3;/q-2;.

What are the key properties of 10-[3-[3-(4-tert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-14-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;platinum?

10-[3-[3-(4-tert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-14-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;platinum has a molecular weight of 800.82 g/mol, XLogP of 9.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[3-[3-(4-tert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-14-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;platinum is sourced from PubChem (CID 165164155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).