dicopper;platinum(2+);11,11,29,29-tetramethyl-37,39-diaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,12(39),13,15,17,19,21,23,25,27,30(37),31,33,35-octadecaene;5,5,15,15-tetramethyl-10,20-diphenylporphyrin-22,24-diide;2,7,12,17-tetraphenyl-2,12,21,23-tetraza-22,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3,5,7,9,11(23),13,15,17,19-decaene

C118H88Cu2N14Pt — CID 157256698

IUPACdicopper;platinum(2+);11,11,29,29-tetramethyl-37,39-diaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,12(39),13,15,17,19,21,23,25,27,30(37),31,33,35-octadecaene;5,5,15,15-tetramethyl-10,20-diphenylporphyrin-22,24-diide;2,7,12,17-tetraphenyl-2,12,21,23-tetraza-22,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3,5,7,9,11(23),13,15,17,19-decaene
SMILESC1=C/C2=C(\c3ccccc3)c3ccc([n-]3)N(c3ccccc3)C3=N/C(=C(/c4ccccc4)c4ccc([n-]4)N(c4ccccc4)C1=N2)C=C3.CC1(C)C2=NC(=C(c3ccccc3)c3ccc([n-]3)C(C)(C)C3=NC(=C(c4ccccc4)c4ccc1[n-]4)C=C3)C=C2.CC1(C)C2=NC(=Cc3[n-]c(c4ccccc34)C(C)(C)C3=NC(=Cc4[n-]c1c1ccccc41)c1ccccc13)c1ccccc12.[Cu+2].[Cu+2].[Pt+2]
InChIInChI=1S/C42H28N6.C40H30N4.C36H30N4.2Cu.Pt/c1-5-13-29(14-6-1)41-33-21-25-37(43-33)47(31-17-9-3-10-18-31)39-27-23-35(45-39)42(30-15-7-2-8-16-30)36-24-28-40(46-36)48(32-19-11-4-12-20-32)38-26-22-34(41)44-38;1-39(2)35-27-17-9-5-13-23(27)31(41-35)21-33-25-15-7-11-19-29(25)37(43-33)40(3,4)38-30-20-12-8-16-26(30)34(44-38)22-32-24-14-6-10-18-28(24)36(39)42-32;1-35(2)29-19-15-25(37-29)33(23-11-7-5-8-12-23)27-17-21-31(39-27)36(3,4)32-22-18-28(40-32)34(24-13-9-6-10-14-24)26-16-20-30(35)38-26;;;/h1-28H;5-22H,1-4H3;5-22H,1-4H3;;;/q3*-2;3*+2/b41-33-,42-36-;;;;;
InChIKeyAWYZTUGWRUGNKN-BXLKMZMWSA-N
MW2024.27 g/mol
LogP25.23
Rot. Bonds6

About dicopper;platinum(2+);11,11,29,29-tetramethyl-37,39-diaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,12(39),13,15,17,19,21,23,25,27,30(37),31,33,35-octadecaene;5,5,15,15-tetramethyl-10,20-diphenylporphyrin-22,24-diide;2,7,12,17-tetraphenyl-2,12,21,23-tetraza-22,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3,5,7,9,11(23),13,15,17,19-decaene

dicopper;platinum(2+);11,11,29,29-tetramethyl-37,39-diaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,12(39),13,15,17,19,21,23,25,27,30(37),31,33,35-octadecaene;5,5,15,15-tetramethyl-10,20-diphenylporphyrin-22,24-diide;2,7,12,17-tetraphenyl-2,12,21,23-tetraza-22,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3,5,7,9,11(23),13,15,17,19-decaene (PubChem CID 157256698) has the molecular formula C118H88Cu2N14Pt and a molecular weight of 2024.27 g/mol. Its IUPAC name is dicopper;platinum(2+);11,11,29,29-tetramethyl-37,39-diaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,12(39),13,15,17,19,21,23,25,27,30(37),31,33,35-octadecaene;5,5,15,15-tetramethyl-10,20-diphenylporphyrin-22,24-diide;2,7,12,17-tetraphenyl-2,12,21,23-tetraza-22,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3,5,7,9,11(23),13,15,17,19-decaene.

Molecular Properties

Compound Namedicopper;platinum(2+);11,11,29,29-tetramethyl-37,39-diaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,12(39),13,15,17,19,21,23,25,27,30(37),31,33,35-octadecaene;5,5,15,15-tetramethyl-10,20-diphenylporphyrin-22,24-diide;2,7,12,17-tetraphenyl-2,12,21,23-tetraza-22,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3,5,7,9,11(23),13,15,17,19-decaene
PubChem CID157256698
Molecular FormulaC118H88Cu2N14Pt
Molecular Weight2024.27 g/mol
Exact Mass2021.56
IUPAC Namedicopper;platinum(2+);11,11,29,29-tetramethyl-37,39-diaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,12(39),13,15,17,19,21,23,25,27,30(37),31,33,35-octadecaene;5,5,15,15-tetramethyl-10,20-diphenylporphyrin-22,24-diide;2,7,12,17-tetraphenyl-2,12,21,23-tetraza-22,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3,5,7,9,11(23),13,15,17,19-decaene
SMILESC1=C/C2=C(\c3ccccc3)c3ccc([n-]3)N(c3ccccc3)C3=N/C(=C(/c4ccccc4)c4ccc([n-]4)N(c4ccccc4)C1=N2)C=C3.CC1(C)C2=NC(=C(c3ccccc3)c3ccc([n-]3)C(C)(C)C3=NC(=C(c4ccccc4)c4ccc1[n-]4)C=C3)C=C2.CC1(C)C2=NC(=Cc3[n-]c(c4ccccc34)C(C)(C)C3=NC(=Cc4[n-]c1c1ccccc41)c1ccccc13)c1ccccc12.[Cu+2].[Cu+2].[Pt+2]
InChIInChI=1S/C42H28N6.C40H30N4.C36H30N4.2Cu.Pt/c1-5-13-29(14-6-1)41-33-21-25-37(43-33)47(31-17-9-3-10-18-31)39-27-23-35(45-39)42(30-15-7-2-8-16-30)36-24-28-40(46-36)48(32-19-11-4-12-20-32)38-26-22-34(41)44-38;1-39(2)35-27-17-9-5-13-23(27)31(41-35)21-33-25-15-7-11-19-29(25)37(43-33)40(3,4)38-30-20-12-8-16-26(30)34(44-38)22-32-24-14-6-10-18-28(24)36(39)42-32;1-35(2)29-19-15-25(37-29)33(23-11-7-5-8-12-23)27-17-21-31(39-27)36(3,4)32-22-18-28(40-32)34(24-13-9-6-10-14-24)26-16-20-30(35)38-26;;;/h1-28H;5-22H,1-4H3;5-22H,1-4H3;;;/q3*-2;3*+2/b41-33-,42-36-;;;;;
InChIKeyAWYZTUGWRUGNKN-BXLKMZMWSA-N
XLogP25.23
TPSA165.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms135
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002024.27
LogP ≤ 525.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze dicopper;platinum(2+);11,11,29,29-tetramethyl-37,39-diaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,12(39),13,15,17,19,21,23,25,27,30(37),31,33,35-octadecaene;5,5,15,15-tetramethyl-10,20-diphenylporphyrin-22,24-diide;2,7,12,17-tetraphenyl-2,12,21,23-tetraza-22,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3,5,7,9,11(23),13,15,17,19-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of dicopper;platinum(2+);11,11,29,29-tetramethyl-37,39-diaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,12(39),13,15,17,19,21,23,25,27,30(37),31,33,35-octadecaene;5,5,15,15-tetramethyl-10,20-diphenylporphyrin-22,24-diide;2,7,12,17-tetraphenyl-2,12,21,23-tetraza-22,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3,5,7,9,11(23),13,15,17,19-decaene?
The IUPAC name of dicopper;platinum(2+);11,11,29,29-tetramethyl-37,39-diaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,12(39),13,15,17,19,21,23,25,27,30(37),31,33,35-octadecaene;5,5,15,15-tetramethyl-10,20-diphenylporphyrin-22,24-diide;2,7,12,17-tetraphenyl-2,12,21,23-tetraza-22,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3,5,7,9,11(23),13,15,17,19-decaene (CID 157256698) is dicopper;platinum(2+);11,11,29,29-tetramethyl-37,39-diaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,12(39),13,15,17,19,21,23,25,27,30(37),31,33,35-octadecaene;5,5,15,15-tetramethyl-10,20-diphenylporphyrin-22,24-diide;2,7,12,17-tetraphenyl-2,12,21,23-tetraza-22,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3,5,7,9,11(23),13,15,17,19-decaene.
What is the SMILES notation for dicopper;platinum(2+);11,11,29,29-tetramethyl-37,39-diaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,12(39),13,15,17,19,21,23,25,27,30(37),31,33,35-octadecaene;5,5,15,15-tetramethyl-10,20-diphenylporphyrin-22,24-diide;2,7,12,17-tetraphenyl-2,12,21,23-tetraza-22,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3,5,7,9,11(23),13,15,17,19-decaene?
The canonical SMILES for dicopper;platinum(2+);11,11,29,29-tetramethyl-37,39-diaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,12(39),13,15,17,19,21,23,25,27,30(37),31,33,35-octadecaene;5,5,15,15-tetramethyl-10,20-diphenylporphyrin-22,24-diide;2,7,12,17-tetraphenyl-2,12,21,23-tetraza-22,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3,5,7,9,11(23),13,15,17,19-decaene is C1=C/C2=C(\c3ccccc3)c3ccc([n-]3)N(c3ccccc3)C3=N/C(=C(/c4ccccc4)c4ccc([n-]4)N(c4ccccc4)C1=N2)C=C3.CC1(C)C2=NC(=C(c3ccccc3)c3ccc([n-]3)C(C)(C)C3=NC(=C(c4ccccc4)c4ccc1[n-]4)C=C3)C=C2.CC1(C)C2=NC(=Cc3[n-]c(c4ccccc34)C(C)(C)C3=NC(=Cc4[n-]c1c1ccccc41)c1ccccc13)c1ccccc12.[Cu+2].[Cu+2].[Pt+2].
What is the InChIKey of dicopper;platinum(2+);11,11,29,29-tetramethyl-37,39-diaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,12(39),13,15,17,19,21,23,25,27,30(37),31,33,35-octadecaene;5,5,15,15-tetramethyl-10,20-diphenylporphyrin-22,24-diide;2,7,12,17-tetraphenyl-2,12,21,23-tetraza-22,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3,5,7,9,11(23),13,15,17,19-decaene?
The InChIKey is AWYZTUGWRUGNKN-BXLKMZMWSA-N. The full InChI is InChI=1S/C42H28N6.C40H30N4.C36H30N4.2Cu.Pt/c1-5-13-29(14-6-1)41-33-21-25-37(43-33)47(31-17-9-3-10-18-31)39-27-23-35(45-39)42(30-15-7-2-8-16-30)36-24-28-40(46-36)48(32-19-11-4-12-20-32)38-26-22-34(41)44-38;1-39(2)35-27-17-9-5-13-23(27)31(41-35)21-33-25-15-7-11-19-29(25)37(43-33)40(3,4)38-30-20-12-8-16-26(30)34(44-38)22-32-24-14-6-10-18-28(24)36(39)42-32;1-35(2)29-19-15-25(37-29)33(23-11-7-5-8-12-23)27-17-21-31(39-27)36(3,4)32-22-18-28(40-32)34(24-13-9-6-10-14-24)26-16-20-30(35)38-26;;;/h1-28H;5-22H,1-4H3;5-22H,1-4H3;;;/q3*-2;3*+2/b41-33-,42-36-;;;;;.
What are the key properties of dicopper;platinum(2+);11,11,29,29-tetramethyl-37,39-diaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,12(39),13,15,17,19,21,23,25,27,30(37),31,33,35-octadecaene;5,5,15,15-tetramethyl-10,20-diphenylporphyrin-22,24-diide;2,7,12,17-tetraphenyl-2,12,21,23-tetraza-22,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3,5,7,9,11(23),13,15,17,19-decaene?
dicopper;platinum(2+);11,11,29,29-tetramethyl-37,39-diaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,12(39),13,15,17,19,21,23,25,27,30(37),31,33,35-octadecaene;5,5,15,15-tetramethyl-10,20-diphenylporphyrin-22,24-diide;2,7,12,17-tetraphenyl-2,12,21,23-tetraza-22,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3,5,7,9,11(23),13,15,17,19-decaene has a molecular weight of 2024.27 g/mol, XLogP of 25.23, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;platinum(2+);11,11,29,29-tetramethyl-37,39-diaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,12(39),13,15,17,19,21,23,25,27,30(37),31,33,35-octadecaene;5,5,15,15-tetramethyl-10,20-diphenylporphyrin-22,24-diide;2,7,12,17-tetraphenyl-2,12,21,23-tetraza-22,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3,5,7,9,11(23),13,15,17,19-decaene is sourced from PubChem (CID 157256698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).