12,25-diphenyl-27,28-diaza-8,21-diazanidapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(27),2,4,6,10,12,14(28),15,17,19,23,25-dodecaene-9,22-dione;platinum(2+)

C36H22N4O2Pt — CID 58568765

About 12,25-diphenyl-27,28-diaza-8,21-diazanidapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(27),2,4,6,10,12,14(28),15,17,19,23,25-dodecaene-9,22-dione;platinum(2+)

12,25-diphenyl-27,28-diaza-8,21-diazanidapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(27),2,4,6,10,12,14(28),15,17,19,23,25-dodecaene-9,22-dione;platinum(2+) (PubChem CID 58568765) has the molecular formula C36H22N4O2Pt and a molecular weight of 737.68 g/mol. Its IUPAC name is 12,25-diphenyl-27,28-diaza-8,21-diazanidapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(27),2,4,6,10,12,14(28),15,17,19,23,25-dodecaene-9,22-dione;platinum(2+).

Molecular Properties

• Compound Name: 12,25-diphenyl-27,28-diaza-8,21-diazanidapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(27),2,4,6,10,12,14(28),15,17,19,23,25-dodecaene-9,22-dione;platinum(2+)
• PubChem CID: 58568765
• Molecular Formula: C36H22N4O2Pt
• Molecular Weight: 737.68 g/mol
• Exact Mass: 737.14
• IUPAC Name: 12,25-diphenyl-27,28-diaza-8,21-diazanidapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(27),2,4,6,10,12,14(28),15,17,19,23,25-dodecaene-9,22-dione;platinum(2+)
• SMILES: O=c1[n-]c2ccccc2c2cc(-c3ccccc3)cc(n2)c(=O)[n-]c2ccccc2c2cc(-c3ccccc3)cc1n2.[Pt+2]
• InChI: InChI=1S/C36H24N4O2.Pt/c41-35-33-21-25(23-11-3-1-4-12-23)19-31(37-33)27-15-7-9-17-29(27)40-36(42)34-22-26(24-13-5-2-6-14-24)20-32(38-34)28-16-8-10-18-30(28)39-35;/h1-22H,(H2,37,38,39,40,41,42);/q;+2/p-2
• InChIKey: CLCHOMBKNJQQIF-UHFFFAOYSA-L
• XLogP: 6.74
• TPSA: 88.12 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	737.68
LogP ≤ 5	6.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 12,25-diphenyl-27,28-diaza-8,21-diazanidapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(27),2,4,6,10,12,14(28),15,17,19,23,25-dodecaene-9,22-dione;platinum(2+)?

The IUPAC name of 12,25-diphenyl-27,28-diaza-8,21-diazanidapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(27),2,4,6,10,12,14(28),15,17,19,23,25-dodecaene-9,22-dione;platinum(2+) (CID 58568765) is 12,25-diphenyl-27,28-diaza-8,21-diazanidapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(27),2,4,6,10,12,14(28),15,17,19,23,25-dodecaene-9,22-dione;platinum(2+).

What is the SMILES notation for 12,25-diphenyl-27,28-diaza-8,21-diazanidapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(27),2,4,6,10,12,14(28),15,17,19,23,25-dodecaene-9,22-dione;platinum(2+)?

The canonical SMILES for 12,25-diphenyl-27,28-diaza-8,21-diazanidapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(27),2,4,6,10,12,14(28),15,17,19,23,25-dodecaene-9,22-dione;platinum(2+) is O=c1[n-]c2ccccc2c2cc(-c3ccccc3)cc(n2)c(=O)[n-]c2ccccc2c2cc(-c3ccccc3)cc1n2.[Pt+2].

What is the InChIKey of 12,25-diphenyl-27,28-diaza-8,21-diazanidapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(27),2,4,6,10,12,14(28),15,17,19,23,25-dodecaene-9,22-dione;platinum(2+)?

The InChIKey is CLCHOMBKNJQQIF-UHFFFAOYSA-L. The full InChI is InChI=1S/C36H24N4O2.Pt/c41-35-33-21-25(23-11-3-1-4-12-23)19-31(37-33)27-15-7-9-17-29(27)40-36(42)34-22-26(24-13-5-2-6-14-24)20-32(38-34)28-16-8-10-18-30(28)39-35;/h1-22H,(H2,37,38,39,40,41,42);/q;+2/p-2.

What are the key properties of 12,25-diphenyl-27,28-diaza-8,21-diazanidapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(27),2,4,6,10,12,14(28),15,17,19,23,25-dodecaene-9,22-dione;platinum(2+)?

12,25-diphenyl-27,28-diaza-8,21-diazanidapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(27),2,4,6,10,12,14(28),15,17,19,23,25-dodecaene-9,22-dione;platinum(2+) has a molecular weight of 737.68 g/mol, XLogP of 6.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 12,25-diphenyl-27,28-diaza-8,21-diazanidapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(27),2,4,6,10,12,14(28),15,17,19,23,25-dodecaene-9,22-dione;platinum(2+) is sourced from PubChem (CID 58568765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).