palladium(2+);2,7,12,17-tetrakis(4-methoxyphenyl)-4-oxa-22,23,24-triaza-21-azanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16(22),17,19-undecaen-5-olate

C47H34N4O6Pd — CID 62705347

IUPACpalladium(2+);2,7,12,17-tetrakis(4-methoxyphenyl)-4-oxa-22,23,24-triaza-21-azanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16(22),17,19-undecaen-5-olate
SMILESCOc1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(OC)cc3)=c3/cc/c([n-]3)=C(\c3ccc(OC)cc3)c3nc(c([O-])o3)/C(c3ccc(OC)cc3)=C3/C=CC2=N3)cc1.[Pd+2]
InChIInChI=1S/C47H35N4O6.Pd/c1-53-31-13-5-27(6-14-31)41-35-21-22-36(48-35)42(28-7-15-32(54-2)16-8-28)38-24-26-40(50-38)44(30-11-19-34(56-4)20-12-30)46-51-45(47(52)57-46)43(39-25-23-37(41)49-39)29-9-17-33(55-3)18-10-29;/h5-26H,1-4H3,(H-,48,49,50,51,52);/q-1;+2/p-1
InChIKeyVSMPWYDGRDCGIW-UHFFFAOYSA-M
MW857.23 g/mol
LogP6.39
Rot. Bonds8

About palladium(2+);2,7,12,17-tetrakis(4-methoxyphenyl)-4-oxa-22,23,24-triaza-21-azanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16(22),17,19-undecaen-5-olate

palladium(2+);2,7,12,17-tetrakis(4-methoxyphenyl)-4-oxa-22,23,24-triaza-21-azanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16(22),17,19-undecaen-5-olate (PubChem CID 62705347) has the molecular formula C47H34N4O6Pd and a molecular weight of 857.23 g/mol. Its IUPAC name is palladium(2+);2,7,12,17-tetrakis(4-methoxyphenyl)-4-oxa-22,23,24-triaza-21-azanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16(22),17,19-undecaen-5-olate.

Molecular Properties

Compound Namepalladium(2+);2,7,12,17-tetrakis(4-methoxyphenyl)-4-oxa-22,23,24-triaza-21-azanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16(22),17,19-undecaen-5-olate
PubChem CID62705347
Molecular FormulaC47H34N4O6Pd
Molecular Weight857.23 g/mol
Exact Mass856.15
IUPAC Namepalladium(2+);2,7,12,17-tetrakis(4-methoxyphenyl)-4-oxa-22,23,24-triaza-21-azanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16(22),17,19-undecaen-5-olate
SMILESCOc1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(OC)cc3)=c3/cc/c([n-]3)=C(\c3ccc(OC)cc3)c3nc(c([O-])o3)/C(c3ccc(OC)cc3)=C3/C=CC2=N3)cc1.[Pd+2]
InChIInChI=1S/C47H35N4O6.Pd/c1-53-31-13-5-27(6-14-31)41-35-21-22-36(48-35)42(28-7-15-32(54-2)16-8-28)38-24-26-40(50-38)44(30-11-19-34(56-4)20-12-30)46-51-45(47(52)57-46)43(39-25-23-37(41)49-39)29-9-17-33(55-3)18-10-29;/h5-26H,1-4H3,(H-,48,49,50,51,52);/q-1;+2/p-1
InChIKeyVSMPWYDGRDCGIW-UHFFFAOYSA-M
XLogP6.39
TPSA124.83 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500857.23
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze palladium(2+);2,7,12,17-tetrakis(4-methoxyphenyl)-4-oxa-22,23,24-triaza-21-azanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16(22),17,19-undecaen-5-olate with MolForge

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Frequently Asked Questions

What is the IUPAC name of palladium(2+);2,7,12,17-tetrakis(4-methoxyphenyl)-4-oxa-22,23,24-triaza-21-azanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16(22),17,19-undecaen-5-olate?
The IUPAC name of palladium(2+);2,7,12,17-tetrakis(4-methoxyphenyl)-4-oxa-22,23,24-triaza-21-azanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16(22),17,19-undecaen-5-olate (CID 62705347) is palladium(2+);2,7,12,17-tetrakis(4-methoxyphenyl)-4-oxa-22,23,24-triaza-21-azanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16(22),17,19-undecaen-5-olate.
What is the SMILES notation for palladium(2+);2,7,12,17-tetrakis(4-methoxyphenyl)-4-oxa-22,23,24-triaza-21-azanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16(22),17,19-undecaen-5-olate?
The canonical SMILES for palladium(2+);2,7,12,17-tetrakis(4-methoxyphenyl)-4-oxa-22,23,24-triaza-21-azanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16(22),17,19-undecaen-5-olate is COc1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(OC)cc3)=c3/cc/c([n-]3)=C(\c3ccc(OC)cc3)c3nc(c([O-])o3)/C(c3ccc(OC)cc3)=C3/C=CC2=N3)cc1.[Pd+2].
What is the InChIKey of palladium(2+);2,7,12,17-tetrakis(4-methoxyphenyl)-4-oxa-22,23,24-triaza-21-azanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16(22),17,19-undecaen-5-olate?
The InChIKey is VSMPWYDGRDCGIW-UHFFFAOYSA-M. The full InChI is InChI=1S/C47H35N4O6.Pd/c1-53-31-13-5-27(6-14-31)41-35-21-22-36(48-35)42(28-7-15-32(54-2)16-8-28)38-24-26-40(50-38)44(30-11-19-34(56-4)20-12-30)46-51-45(47(52)57-46)43(39-25-23-37(41)49-39)29-9-17-33(55-3)18-10-29;/h5-26H,1-4H3,(H-,48,49,50,51,52);/q-1;+2/p-1.
What are the key properties of palladium(2+);2,7,12,17-tetrakis(4-methoxyphenyl)-4-oxa-22,23,24-triaza-21-azanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16(22),17,19-undecaen-5-olate?
palladium(2+);2,7,12,17-tetrakis(4-methoxyphenyl)-4-oxa-22,23,24-triaza-21-azanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16(22),17,19-undecaen-5-olate has a molecular weight of 857.23 g/mol, XLogP of 6.39, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for palladium(2+);2,7,12,17-tetrakis(4-methoxyphenyl)-4-oxa-22,23,24-triaza-21-azanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16(22),17,19-undecaen-5-olate is sourced from PubChem (CID 62705347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).