tetrakis(bromopalladium(1+));1-[3-[(dimethylamino)methyl]-5-[10,15,20-tris[3,5-bis[(dimethylamino)methyl]benzene-4-id-1-yl]porphyrin-22,24-diid-5-yl]benzene-2-id-1-yl]-N,N-dimethylmethanamine;nickel(2+)

C68H80Br4N12NiPd4 — CID 45140031

IUPACtetrakis(bromopalladium(1+));1-[3-[(dimethylamino)methyl]-5-[10,15,20-tris[3,5-bis[(dimethylamino)methyl]benzene-4-id-1-yl]porphyrin-22,24-diid-5-yl]benzene-2-id-1-yl]-N,N-dimethylmethanamine;nickel(2+)
SMILESBr[Pd+].Br[Pd+].Br[Pd+].Br[Pd+].CN(C)Cc1[c-]c(CN(C)C)cc(-c2c3nc(c(-c4cc(CN(C)C)[c-]c(CN(C)C)c4)c4ccc([n-]4)c(-c4cc(CN(C)C)[c-]c(CN(C)C)c4)c4nc(c(-c5cc(CN(C)C)[c-]c(CN(C)C)c5)c5ccc2[n-]5)C=C4)C=C3)c1.[Ni+2]
InChIInChI=1S/C68H80N12.4BrH.Ni.4Pd/c1-73(2)37-45-25-46(38-74(3)4)30-53(29-45)65-57-17-19-59(69-57)66(54-31-47(39-75(5)6)26-48(32-54)40-76(7)8)61-21-23-63(71-61)68(56-35-51(43-79(13)14)28-52(36-56)44-80(15)16)64-24-22-62(72-64)67(60-20-18-58(65)70-60)55-33-49(41-77(9)10)27-50(34-55)42-78(11)12;;;;;;;;;/h17-24,29-36H,37-44H2,1-16H3;4*1H;;;;;/q-6;;;;;5*+2/p-4/b65-57-,65-58-,66-59-,66-61-,67-60-,67-62-,68-63-,68-64-;;;;;;;;;
InChIKeyLRBRWZGGRIHZIQ-YAVVJWJGSA-J
MW1869.46 g/mol
LogP13.65
Rot. Bonds20

About tetrakis(bromopalladium(1+));1-[3-[(dimethylamino)methyl]-5-[10,15,20-tris[3,5-bis[(dimethylamino)methyl]benzene-4-id-1-yl]porphyrin-22,24-diid-5-yl]benzene-2-id-1-yl]-N,N-dimethylmethanamine;nickel(2+)

tetrakis(bromopalladium(1+));1-[3-[(dimethylamino)methyl]-5-[10,15,20-tris[3,5-bis[(dimethylamino)methyl]benzene-4-id-1-yl]porphyrin-22,24-diid-5-yl]benzene-2-id-1-yl]-N,N-dimethylmethanamine;nickel(2+) (PubChem CID 45140031) has the molecular formula C68H80Br4N12NiPd4 and a molecular weight of 1869.46 g/mol. Its IUPAC name is tetrakis(bromopalladium(1+));1-[3-[(dimethylamino)methyl]-5-[10,15,20-tris[3,5-bis[(dimethylamino)methyl]benzene-4-id-1-yl]porphyrin-22,24-diid-5-yl]benzene-2-id-1-yl]-N,N-dimethylmethanamine;nickel(2+).

Molecular Properties

Compound Nametetrakis(bromopalladium(1+));1-[3-[(dimethylamino)methyl]-5-[10,15,20-tris[3,5-bis[(dimethylamino)methyl]benzene-4-id-1-yl]porphyrin-22,24-diid-5-yl]benzene-2-id-1-yl]-N,N-dimethylmethanamine;nickel(2+)
PubChem CID45140031
Molecular FormulaC68H80Br4N12NiPd4
Molecular Weight1869.46 g/mol
Exact Mass1861.89
IUPAC Nametetrakis(bromopalladium(1+));1-[3-[(dimethylamino)methyl]-5-[10,15,20-tris[3,5-bis[(dimethylamino)methyl]benzene-4-id-1-yl]porphyrin-22,24-diid-5-yl]benzene-2-id-1-yl]-N,N-dimethylmethanamine;nickel(2+)
SMILESBr[Pd+].Br[Pd+].Br[Pd+].Br[Pd+].CN(C)Cc1[c-]c(CN(C)C)cc(-c2c3nc(c(-c4cc(CN(C)C)[c-]c(CN(C)C)c4)c4ccc([n-]4)c(-c4cc(CN(C)C)[c-]c(CN(C)C)c4)c4nc(c(-c5cc(CN(C)C)[c-]c(CN(C)C)c5)c5ccc2[n-]5)C=C4)C=C3)c1.[Ni+2]
InChIInChI=1S/C68H80N12.4BrH.Ni.4Pd/c1-73(2)37-45-25-46(38-74(3)4)30-53(29-45)65-57-17-19-59(69-57)66(54-31-47(39-75(5)6)26-48(32-54)40-76(7)8)61-21-23-63(71-61)68(56-35-51(43-79(13)14)28-52(36-56)44-80(15)16)64-24-22-62(72-64)67(60-20-18-58(65)70-60)55-33-49(41-77(9)10)27-50(34-55)42-78(11)12;;;;;;;;;/h17-24,29-36H,37-44H2,1-16H3;4*1H;;;;;/q-6;;;;;5*+2/p-4/b65-57-,65-58-,66-59-,66-61-,67-60-,67-62-,68-63-,68-64-;;;;;;;;;
InChIKeyLRBRWZGGRIHZIQ-YAVVJWJGSA-J
XLogP13.65
TPSA79.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001869.46
LogP ≤ 513.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze tetrakis(bromopalladium(1+));1-[3-[(dimethylamino)methyl]-5-[10,15,20-tris[3,5-bis[(dimethylamino)methyl]benzene-4-id-1-yl]porphyrin-22,24-diid-5-yl]benzene-2-id-1-yl]-N,N-dimethylmethanamine;nickel(2+) with MolForge

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Frequently Asked Questions

What is the IUPAC name of tetrakis(bromopalladium(1+));1-[3-[(dimethylamino)methyl]-5-[10,15,20-tris[3,5-bis[(dimethylamino)methyl]benzene-4-id-1-yl]porphyrin-22,24-diid-5-yl]benzene-2-id-1-yl]-N,N-dimethylmethanamine;nickel(2+)?
The IUPAC name of tetrakis(bromopalladium(1+));1-[3-[(dimethylamino)methyl]-5-[10,15,20-tris[3,5-bis[(dimethylamino)methyl]benzene-4-id-1-yl]porphyrin-22,24-diid-5-yl]benzene-2-id-1-yl]-N,N-dimethylmethanamine;nickel(2+) (CID 45140031) is tetrakis(bromopalladium(1+));1-[3-[(dimethylamino)methyl]-5-[10,15,20-tris[3,5-bis[(dimethylamino)methyl]benzene-4-id-1-yl]porphyrin-22,24-diid-5-yl]benzene-2-id-1-yl]-N,N-dimethylmethanamine;nickel(2+).
What is the SMILES notation for tetrakis(bromopalladium(1+));1-[3-[(dimethylamino)methyl]-5-[10,15,20-tris[3,5-bis[(dimethylamino)methyl]benzene-4-id-1-yl]porphyrin-22,24-diid-5-yl]benzene-2-id-1-yl]-N,N-dimethylmethanamine;nickel(2+)?
The canonical SMILES for tetrakis(bromopalladium(1+));1-[3-[(dimethylamino)methyl]-5-[10,15,20-tris[3,5-bis[(dimethylamino)methyl]benzene-4-id-1-yl]porphyrin-22,24-diid-5-yl]benzene-2-id-1-yl]-N,N-dimethylmethanamine;nickel(2+) is Br[Pd+].Br[Pd+].Br[Pd+].Br[Pd+].CN(C)Cc1[c-]c(CN(C)C)cc(-c2c3nc(c(-c4cc(CN(C)C)[c-]c(CN(C)C)c4)c4ccc([n-]4)c(-c4cc(CN(C)C)[c-]c(CN(C)C)c4)c4nc(c(-c5cc(CN(C)C)[c-]c(CN(C)C)c5)c5ccc2[n-]5)C=C4)C=C3)c1.[Ni+2].
What is the InChIKey of tetrakis(bromopalladium(1+));1-[3-[(dimethylamino)methyl]-5-[10,15,20-tris[3,5-bis[(dimethylamino)methyl]benzene-4-id-1-yl]porphyrin-22,24-diid-5-yl]benzene-2-id-1-yl]-N,N-dimethylmethanamine;nickel(2+)?
The InChIKey is LRBRWZGGRIHZIQ-YAVVJWJGSA-J. The full InChI is InChI=1S/C68H80N12.4BrH.Ni.4Pd/c1-73(2)37-45-25-46(38-74(3)4)30-53(29-45)65-57-17-19-59(69-57)66(54-31-47(39-75(5)6)26-48(32-54)40-76(7)8)61-21-23-63(71-61)68(56-35-51(43-79(13)14)28-52(36-56)44-80(15)16)64-24-22-62(72-64)67(60-20-18-58(65)70-60)55-33-49(41-77(9)10)27-50(34-55)42-78(11)12;;;;;;;;;/h17-24,29-36H,37-44H2,1-16H3;4*1H;;;;;/q-6;;;;;5*+2/p-4/b65-57-,65-58-,66-59-,66-61-,67-60-,67-62-,68-63-,68-64-;;;;;;;;;.
What are the key properties of tetrakis(bromopalladium(1+));1-[3-[(dimethylamino)methyl]-5-[10,15,20-tris[3,5-bis[(dimethylamino)methyl]benzene-4-id-1-yl]porphyrin-22,24-diid-5-yl]benzene-2-id-1-yl]-N,N-dimethylmethanamine;nickel(2+)?
tetrakis(bromopalladium(1+));1-[3-[(dimethylamino)methyl]-5-[10,15,20-tris[3,5-bis[(dimethylamino)methyl]benzene-4-id-1-yl]porphyrin-22,24-diid-5-yl]benzene-2-id-1-yl]-N,N-dimethylmethanamine;nickel(2+) has a molecular weight of 1869.46 g/mol, XLogP of 13.65, 20 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(bromopalladium(1+));1-[3-[(dimethylamino)methyl]-5-[10,15,20-tris[3,5-bis[(dimethylamino)methyl]benzene-4-id-1-yl]porphyrin-22,24-diid-5-yl]benzene-2-id-1-yl]-N,N-dimethylmethanamine;nickel(2+) is sourced from PubChem (CID 45140031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).