2-tert-butyl-10-[3-(2-methylphenyl)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+)

C40H31N3Pt — CID 165164268

About 2-tert-butyl-10-[3-(2-methylphenyl)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+)

2-tert-butyl-10-[3-(2-methylphenyl)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+) (PubChem CID 165164268) has the molecular formula C40H31N3Pt and a molecular weight of 748.79 g/mol. Its IUPAC name is 2-tert-butyl-10-[3-(2-methylphenyl)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+).

Molecular Properties

• Compound Name: 2-tert-butyl-10-[3-(2-methylphenyl)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+)
• PubChem CID: 165164268
• Molecular Formula: C40H31N3Pt
• Molecular Weight: 748.79 g/mol
• Exact Mass: 748.22
• IUPAC Name: 2-tert-butyl-10-[3-(2-methylphenyl)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+)
• SMILES: Cc1ccccc1-c1[c-]c(-n2c3ccccc3c3c(C(C)(C)C)c4c5ccccc5n(-c5[c-]cccc5)c4nc32)ccc1.[Pt+2]
• InChI: InChI=1S/C40H31N3.Pt/c1-26-15-8-9-20-30(26)27-16-14-19-29(25-27)43-34-24-13-11-22-32(34)36-37(40(2,3)4)35-31-21-10-12-23-33(31)42(38(35)41-39(36)43)28-17-6-5-7-18-28;/h5-17,19-24H,1-4H3;/q-2;+2
• InChIKey: NNLJQDNTRSLLLN-UHFFFAOYSA-N
• XLogP: 10.15
• TPSA: 22.75 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	748.79
LogP ≤ 5	10.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-10-[3-(2-methylphenyl)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+)?

The IUPAC name of 2-tert-butyl-10-[3-(2-methylphenyl)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+) (CID 165164268) is 2-tert-butyl-10-[3-(2-methylphenyl)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+).

What is the SMILES notation for 2-tert-butyl-10-[3-(2-methylphenyl)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+)?

The canonical SMILES for 2-tert-butyl-10-[3-(2-methylphenyl)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+) is Cc1ccccc1-c1[c-]c(-n2c3ccccc3c3c(C(C)(C)C)c4c5ccccc5n(-c5[c-]cccc5)c4nc32)ccc1.[Pt+2].

What is the InChIKey of 2-tert-butyl-10-[3-(2-methylphenyl)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+)?

The InChIKey is NNLJQDNTRSLLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H31N3.Pt/c1-26-15-8-9-20-30(26)27-16-14-19-29(25-27)43-34-24-13-11-22-32(34)36-37(40(2,3)4)35-31-21-10-12-23-33(31)42(38(35)41-39(36)43)28-17-6-5-7-18-28;/h5-17,19-24H,1-4H3;/q-2;+2.

What are the key properties of 2-tert-butyl-10-[3-(2-methylphenyl)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+)?

2-tert-butyl-10-[3-(2-methylphenyl)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+) has a molecular weight of 748.79 g/mol, XLogP of 10.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-10-[3-(2-methylphenyl)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+) is sourced from PubChem (CID 165164268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).