2-tert-butyl-10-[3-(3-methyl-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

C37H29N5Pt-2 — CID 165164205

About 2-tert-butyl-10-[3-(3-methyl-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

2-tert-butyl-10-[3-(3-methyl-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 165164205) has the molecular formula C37H29N5Pt-2 and a molecular weight of 738.75 g/mol. Its IUPAC name is 2-tert-butyl-10-[3-(3-methyl-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: 2-tert-butyl-10-[3-(3-methyl-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: 165164205
• Molecular Formula: C37H29N5Pt-2
• Molecular Weight: 738.75 g/mol
• Exact Mass: 738.21
• IUPAC Name: 2-tert-butyl-10-[3-(3-methyl-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: C[n+]1[c-]n(-c2[c-]c(-n3c4ccccc4c4c(C(C)(C)C)c5c6ccccc6n(-c6[c-]cccc6)c5nc43)ccc2)cc1.[Pt]
• InChI: InChI=1S/C37H29N5.Pt/c1-37(2,3)34-32-28-17-8-10-19-30(28)41(25-13-6-5-7-14-25)35(32)38-36-33(34)29-18-9-11-20-31(29)42(36)27-16-12-15-26(23-27)40-22-21-39(4)24-40;/h5-13,15-22H,1-4H3;/q-2
• InChIKey: RPYYMWHXSLRFIL-UHFFFAOYSA-N
• XLogP: 7.59
• TPSA: 31.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	738.75
LogP ≤ 5	7.59
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 2-tert-butyl-10-[3-(3-methyl-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 2-tert-butyl-10-[3-(3-methyl-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 165164205) is 2-tert-butyl-10-[3-(3-methyl-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 2-tert-butyl-10-[3-(3-methyl-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 2-tert-butyl-10-[3-(3-methyl-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 C[n+]1[c-]n(-c2[c-]c(-n3c4ccccc4c4c(C(C)(C)C)c5c6ccccc6n(-c6[c-]cccc6)c5nc43)ccc2)cc1.[Pt].

What is the InChIKey of 2-tert-butyl-10-[3-(3-methyl-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 RPYYMWHXSLRFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H29N5.Pt/c1-37(2,3)34-32-28-17-8-10-19-30(28)41(25-13-6-5-7-14-25)35(32)38-36-33(34)29-18-9-11-20-31(29)42(36)27-16-12-15-26(23-27)40-22-21-39(4)24-40;/h5-13,15-22H,1-4H3;/q-2;.

What are the key properties of 2-tert-butyl-10-[3-(3-methyl-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?

2-tert-butyl-10-[3-(3-methyl-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 738.75 g/mol, XLogP of 7.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-10-[3-(3-methyl-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 165164205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).