Platinum(2+);22-[3-[3-(1,20,22-triazahexacyclo[19.7.0.02,7.08,13.014,19.023,28]octacosa-2,4,6,8,10,12,14,16,18,20,23,25,27-tridecaen-22-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,20,22-triazahexacyclo[19.7.0.02,7.08,13.014,19.023,28]octacosa-2,4,6,8,10,12,14,16,18,20,23,25,27-tridecaene

C₆₂H₃₈N₆OPt — CID 171747120

About Platinum(2+);22-[3-[3-(1,20,22-triazahexacyclo[19.7.0.02,7.08,13.014,19.023,28]octacosa-2,4,6,8,10,12,14,16,18,20,23,25,27-tridecaen-22-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,20,22-triazahexacyclo[19.7.0.02,7.08,13.014,19.023,28]octacosa-2,4,6,8,10,12,14,16,18,20,23,25,27-tridecaene

Platinum(2+);22-[3-[3-(1,20,22-triazahexacyclo[19.7.0.02,7.08,13.014,19.023,28]octacosa-2,4,6,8,10,12,14,16,18,20,23,25,27-tridecaen-22-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,20,22-triazahexacyclo[19.7.0.02,7.08,13.014,19.023,28]octacosa-2,4,6,8,10,12,14,16,18,20,23,25,27-tridecaene (PubChem CID 171747120) has the molecular formula C₆₂H₃₈N₆OPt and a molecular weight of 1078.11 g/mol. Its IUPAC name is platinum(2+);22-[3-[3-(1,20,22-triazahexacyclo[19.7.0.02,7.08,13.014,19.023,28]octacosa-2,4,6,8,10,12,14,16,18,20,23,25,27-tridecaen-22-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,20,22-triazahexacyclo[19.7.0.02,7.08,13.014,19.023,28]octacosa-2,4,6,8,10,12,14,16,18,20,23,25,27-tridecaene.

Molecular Properties

• Compound Name: Platinum(2+);22-[3-[3-(1,20,22-triazahexacyclo[19.7.0.02,7.08,13.014,19.023,28]octacosa-2,4,6,8,10,12,14,16,18,20,23,25,27-tridecaen-22-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,20,22-triazahexacyclo[19.7.0.02,7.08,13.014,19.023,28]octacosa-2,4,6,8,10,12,14,16,18,20,23,25,27-tridecaene
• PubChem CID: 171747120
• Molecular Formula: C₆₂H₃₈N₆OPt
• Molecular Weight: 1078.11 g/mol
• Exact Mass: 1077.28
• IUPAC Name: platinum(2+);22-[3-[3-(1,20,22-triazahexacyclo[19.7.0.02,7.08,13.014,19.023,28]octacosa-2,4,6,8,10,12,14,16,18,20,23,25,27-tridecaen-22-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,20,22-triazahexacyclo[19.7.0.02,7.08,13.014,19.023,28]octacosa-2,4,6,8,10,12,14,16,18,20,23,25,27-tridecaene
• SMILES: [Pt+2].[c-]1c(Oc2[c-]c(-n3c4ccccc4n4c5ccccc5c5ccccc5c5ccccc5nc34)ccc2)cccc1-n1c2ccccc2n2c3ccccc3c3ccccc3c3ccccc3nc12
• InChI: InChI=1S/C62H38N6O.Pt/c1-3-25-47-45(23-1)49-27-5-9-31-53(49)63-61-65(57-35-13-15-37-59(57)67(61)55-33-11-7-29-51(47)55)41-19-17-21-43(39-41)69-44-22-18-20-42(40-44)66-58-36-14-16-38-60(58)68-56-34-12-8-30-52(56)48-26-4-2-24-46(48)50-28-6-10-32-54(50)64-62(66)68;/h1-38H;/q-2;+2/b63-61-,64-62-
• InChIKey: AOFXPSITUWNASX-RONUWOAOSA-N
• XLogP: 15.43
• TPSA: 53.69 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1078.11
LogP ≤ 5	15.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Platinum(2+);22-[3-[3-(1,20,22-triazahexacyclo[19.7.0.02,7.08,13.014,19.023,28]octacosa-2,4,6,8,10,12,14,16,18,20,23,25,27-tridecaen-22-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,20,22-triazahexacyclo[19.7.0.02,7.08,13.014,19.023,28]octacosa-2,4,6,8,10,12,14,16,18,20,23,25,27-tridecaene?

The IUPAC name of Platinum(2+);22-[3-[3-(1,20,22-triazahexacyclo[19.7.0.02,7.08,13.014,19.023,28]octacosa-2,4,6,8,10,12,14,16,18,20,23,25,27-tridecaen-22-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,20,22-triazahexacyclo[19.7.0.02,7.08,13.014,19.023,28]octacosa-2,4,6,8,10,12,14,16,18,20,23,25,27-tridecaene (CID 171747120) is platinum(2+);22-[3-[3-(1,20,22-triazahexacyclo[19.7.0.02,7.08,13.014,19.023,28]octacosa-2,4,6,8,10,12,14,16,18,20,23,25,27-tridecaen-22-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,20,22-triazahexacyclo[19.7.0.02,7.08,13.014,19.023,28]octacosa-2,4,6,8,10,12,14,16,18,20,23,25,27-tridecaene.

What is the SMILES notation for Platinum(2+);22-[3-[3-(1,20,22-triazahexacyclo[19.7.0.02,7.08,13.014,19.023,28]octacosa-2,4,6,8,10,12,14,16,18,20,23,25,27-tridecaen-22-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,20,22-triazahexacyclo[19.7.0.02,7.08,13.014,19.023,28]octacosa-2,4,6,8,10,12,14,16,18,20,23,25,27-tridecaene?

The canonical SMILES for Platinum(2+);22-[3-[3-(1,20,22-triazahexacyclo[19.7.0.02,7.08,13.014,19.023,28]octacosa-2,4,6,8,10,12,14,16,18,20,23,25,27-tridecaen-22-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,20,22-triazahexacyclo[19.7.0.02,7.08,13.014,19.023,28]octacosa-2,4,6,8,10,12,14,16,18,20,23,25,27-tridecaene is [Pt+2].[c-]1c(Oc2[c-]c(-n3c4ccccc4n4c5ccccc5c5ccccc5c5ccccc5nc34)ccc2)cccc1-n1c2ccccc2n2c3ccccc3c3ccccc3c3ccccc3nc12.

What is the InChIKey of Platinum(2+);22-[3-[3-(1,20,22-triazahexacyclo[19.7.0.02,7.08,13.014,19.023,28]octacosa-2,4,6,8,10,12,14,16,18,20,23,25,27-tridecaen-22-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,20,22-triazahexacyclo[19.7.0.02,7.08,13.014,19.023,28]octacosa-2,4,6,8,10,12,14,16,18,20,23,25,27-tridecaene?

The InChIKey is AOFXPSITUWNASX-RONUWOAOSA-N. The full InChI is InChI=1S/C62H38N6O.Pt/c1-3-25-47-45(23-1)49-27-5-9-31-53(49)63-61-65(57-35-13-15-37-59(57)67(61)55-33-11-7-29-51(47)55)41-19-17-21-43(39-41)69-44-22-18-20-42(40-44)66-58-36-14-16-38-60(58)68-56-34-12-8-30-52(56)48-26-4-2-24-46(48)50-28-6-10-32-54(50)64-62(66)68;/h1-38H;/q-2;+2/b63-61-,64-62-;.

What are the key properties of Platinum(2+);22-[3-[3-(1,20,22-triazahexacyclo[19.7.0.02,7.08,13.014,19.023,28]octacosa-2,4,6,8,10,12,14,16,18,20,23,25,27-tridecaen-22-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,20,22-triazahexacyclo[19.7.0.02,7.08,13.014,19.023,28]octacosa-2,4,6,8,10,12,14,16,18,20,23,25,27-tridecaene?

Platinum(2+);22-[3-[3-(1,20,22-triazahexacyclo[19.7.0.02,7.08,13.014,19.023,28]octacosa-2,4,6,8,10,12,14,16,18,20,23,25,27-tridecaen-22-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,20,22-triazahexacyclo[19.7.0.02,7.08,13.014,19.023,28]octacosa-2,4,6,8,10,12,14,16,18,20,23,25,27-tridecaene has a molecular weight of 1078.11 g/mol, XLogP of 15.43, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for Platinum(2+);22-[3-[3-(1,20,22-triazahexacyclo[19.7.0.02,7.08,13.014,19.023,28]octacosa-2,4,6,8,10,12,14,16,18,20,23,25,27-tridecaen-22-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,20,22-triazahexacyclo[19.7.0.02,7.08,13.014,19.023,28]octacosa-2,4,6,8,10,12,14,16,18,20,23,25,27-tridecaene is sourced from PubChem (CID 171747120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 171747120 — identifiers, structure, computed properties (public domain)

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