platinum(2+);8-[3-[3-(1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaen-8-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene

C36H20N8OPt — CID 169289277

About platinum(2+);8-[3-[3-(1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaen-8-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene

platinum(2+);8-[3-[3-(1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaen-8-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene (PubChem CID 169289277) has the molecular formula C36H20N8OPt and a molecular weight of 775.69 g/mol. Its IUPAC name is platinum(2+);8-[3-[3-(1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaen-8-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene.

Molecular Properties

• Compound Name: platinum(2+);8-[3-[3-(1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaen-8-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene
• PubChem CID: 169289277
• Molecular Formula: C36H20N8OPt
• Molecular Weight: 775.69 g/mol
• Exact Mass: 775.14
• IUPAC Name: platinum(2+);8-[3-[3-(1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaen-8-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene
• SMILES: [Pt+2].[c-]1c(Oc2[c-]c(-n3c4ncccc4n4c5ccccc5nc34)ccc2)cccc1-n1c2ncccc2n2c3ccccc3nc12
• InChI: InChI=1S/C36H20N8O.Pt/c1-3-15-29-27(13-1)39-35-41(33-31(43(29)35)17-7-19-37-33)23-9-5-11-25(21-23)45-26-12-6-10-24(22-26)42-34-32(18-8-20-38-34)44-30-16-4-2-14-28(30)40-36(42)44;/h1-20H;/q-2;+2
• InChIKey: DDYREIFNGNEJOG-UHFFFAOYSA-N
• XLogP: 7.36
• TPSA: 79.47 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	775.69
LogP ≤ 5	7.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of platinum(2+);8-[3-[3-(1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaen-8-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene?

The IUPAC name of platinum(2+);8-[3-[3-(1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaen-8-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene (CID 169289277) is platinum(2+);8-[3-[3-(1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaen-8-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene.

What is the SMILES notation for platinum(2+);8-[3-[3-(1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaen-8-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene?

The canonical SMILES for platinum(2+);8-[3-[3-(1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaen-8-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene is [Pt+2].[c-]1c(Oc2[c-]c(-n3c4ncccc4n4c5ccccc5nc34)ccc2)cccc1-n1c2ncccc2n2c3ccccc3nc12.

What is the InChIKey of platinum(2+);8-[3-[3-(1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaen-8-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene?

The InChIKey is DDYREIFNGNEJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H20N8O.Pt/c1-3-15-29-27(13-1)39-35-41(33-31(43(29)35)17-7-19-37-33)23-9-5-11-25(21-23)45-26-12-6-10-24(22-26)42-34-32(18-8-20-38-34)44-30-16-4-2-14-28(30)40-36(42)44;/h1-20H;/q-2;+2.

What are the key properties of platinum(2+);8-[3-[3-(1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaen-8-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene?

platinum(2+);8-[3-[3-(1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaen-8-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene has a molecular weight of 775.69 g/mol, XLogP of 7.36, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for platinum(2+);8-[3-[3-(1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaen-8-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene is sourced from PubChem (CID 169289277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).