Platinum(2+);10-[3-[3-(1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,8,11,13,15-heptaen-10-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),3,5,8,11,13,15-heptaene

C₃₆H₂₀N₈OPt — CID 169289215

About Platinum(2+);10-[3-[3-(1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,8,11,13,15-heptaen-10-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),3,5,8,11,13,15-heptaene

Platinum(2+);10-[3-[3-(1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,8,11,13,15-heptaen-10-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),3,5,8,11,13,15-heptaene (PubChem CID 169289215) has the molecular formula C₃₆H₂₀N₈OPt and a molecular weight of 775.69 g/mol. Its IUPAC name is platinum(2+);10-[3-[3-(1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,8,11,13,15-heptaen-10-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),3,5,8,11,13,15-heptaene.

Molecular Properties

• Compound Name: Platinum(2+);10-[3-[3-(1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,8,11,13,15-heptaen-10-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),3,5,8,11,13,15-heptaene
• PubChem CID: 169289215
• Molecular Formula: C₃₆H₂₀N₈OPt
• Molecular Weight: 775.69 g/mol
• Exact Mass: 775.14
• IUPAC Name: platinum(2+);10-[3-[3-(1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,8,11,13,15-heptaen-10-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),3,5,8,11,13,15-heptaene
• SMILES: [Pt+2].[c-]1c(Oc2[c-]c(-n3c4ccccc4n4c5cccnc5nc34)ccc2)cccc1-n1c2ccccc2n2c3cccnc3nc12
• InChI: InChI=1S/C36H20N8O.Pt/c1-3-15-29-27(13-1)41(35-39-33-31(43(29)35)17-7-19-37-33)23-9-5-11-25(21-23)45-26-12-6-10-24(22-26)42-28-14-2-4-16-30(28)44-32-18-8-20-38-34(32)40-36(42)44;/h1-20H;/q-2;+2
• InChIKey: NVEWINGGCHDJFN-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+);10-[3-[3-(1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,8,11,13,15-heptaen-10-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),3,5,8,11,13,15-heptaene?

The IUPAC name of Platinum(2+);10-[3-[3-(1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,8,11,13,15-heptaen-10-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),3,5,8,11,13,15-heptaene (CID 169289215) is platinum(2+);10-[3-[3-(1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,8,11,13,15-heptaen-10-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),3,5,8,11,13,15-heptaene.

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

The canonical SMILES for Platinum(2+);10-[3-[3-(1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,8,11,13,15-heptaen-10-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),3,5,8,11,13,15-heptaene is [Pt+2].[c-]1c(Oc2[c-]c(-n3c4ccccc4n4c5cccnc5nc34)ccc2)cccc1-n1c2ccccc2n2c3cccnc3nc12.

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

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

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

Platinum(2+);10-[3-[3-(1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,8,11,13,15-heptaen-10-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),3,5,8,11,13,15-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+);10-[3-[3-(1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,8,11,13,15-heptaen-10-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),3,5,8,11,13,15-heptaene is sourced from PubChem (CID 169289215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 169289215 — identifiers, structure, computed properties (public domain)

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