2-(4-methoxyphenyl)-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+)

C43H29N3OPt — CID 165164093

About 2-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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 165164093) has the molecular formula C43H29N3OPt and a molecular weight of 798.80 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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: 165164093
• Molecular Formula: C43H29N3OPt
• Molecular Weight: 798.80 g/mol
• Exact Mass: 798.20
• IUPAC Name: 2-(4-methoxyphenyl)-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: COc1ccc(-c2c3c4ccccc4n(-c4[c-]cccc4)c3nc3c2c2ccccc2n3-c2[c-]c(-c3ccccc3C)ccc2)cc1.[Pt+2]
• InChI: InChI=1S/C43H29N3O.Pt/c1-28-13-6-7-18-34(28)30-14-12-17-32(27-30)46-38-22-11-9-20-36(38)41-39(29-23-25-33(47-2)26-24-29)40-35-19-8-10-21-37(35)45(42(40)44-43(41)46)31-15-4-3-5-16-31;/h3-15,17-26H,1-2H3;/q-2;+2
• InChIKey: YZRAFUIPFCPLAC-UHFFFAOYSA-N
• XLogP: 10.52
• TPSA: 31.98 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	798.80
LogP ≤ 5	10.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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 165164093) is 2-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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 COc1ccc(-c2c3c4ccccc4n(-c4[c-]cccc4)c3nc3c2c2ccccc2n3-c2[c-]c(-c3ccccc3C)ccc2)cc1.[Pt+2].

What is the InChIKey of 2-(4-methoxyphenyl)-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 YZRAFUIPFCPLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N3O.Pt/c1-28-13-6-7-18-34(28)30-14-12-17-32(27-30)46-38-22-11-9-20-36(38)41-39(29-23-25-33(47-2)26-24-29)40-35-19-8-10-21-37(35)45(42(40)44-43(41)46)31-15-4-3-5-16-31;/h3-15,17-26H,1-2H3;/q-2;+2.

What are the key properties of 2-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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 798.80 g/mol, XLogP of 10.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methoxyphenyl)-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 165164093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).