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

IUPACplatinum(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
InChIInChI=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-;
InChIKeyAOFXPSITUWNASX-RONUWOAOSA-N
MW1078.11 g/mol
LogP15.43
Rot. Bonds4

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 Nameplatinum(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 CID171747120
Molecular FormulaC62H38N6OPt
Molecular Weight1078.11 g/mol
Exact Mass1077.28
IUPAC Nameplatinum(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
InChIInChI=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-;
InChIKeyAOFXPSITUWNASX-RONUWOAOSA-N
XLogP15.43
TPSA53.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001078.11
LogP ≤ 515.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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
5-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2,3-dimethylbenzimidazolo[1,2-a]benzimidazole;platinum(2+)
CID 169289231
8-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-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+)
CID 169289161
5-[3-[[9-(4-tert-butyl-2-pyridinyl)-3,6-diphenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazolo[1,2-a]benzimidazole;platinum(2+)
CID 169289191
6-[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-3-tert-butylbenzimidazolo[1,2-a]benzimidazole;platinum(2+)
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10-[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-1,3,6,8,10-pentazatetracyclo[7.7.0.02,7.011,16]hexadeca-2,4,6,8,11,13,15-heptaene;platinum(2+)
CID 169077337
[7-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzene-2-id-1-yl]-8H-carbazol-8-id-3-yl]-triphenylsilane;platinum(2+)
CID 169077347
5-[3-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-carbazol-9-ylphenoxy]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 169289282
4,17-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene
CID 139484173
4-carbazol-9-yl-17-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene
CID 122546209
CID 171436271
CID 171436271

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).