bis(copper(1+));2,3-diethyl-5,10,15,20-tetraphenylporphyrin-5,20-diylium-21,22,23,24-tetraide;2,3-diethyl-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide

C96H72Cu2N8 — CID 139135143

IUPACbis(copper(1+));2,3-diethyl-5,10,15,20-tetraphenylporphyrin-5,20-diylium-21,22,23,24-tetraide;2,3-diethyl-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide
SMILESCCc1c(CC)c2[n-]c1[c+](-c1ccccc1)c1ccc([n-]1)c(-c1ccccc1)c1ccc([n-]1)c(-c1ccccc1)c1ccc([n-]1)[c+]2-c1ccccc1.CCc1c2[n-]c(c1CC)[C+](c1ccccc1)c1ccc([n-]1)[C+](c1ccccc1)c1ccc([n-]1)[C+](c1ccccc1)c1ccc([n-]1)[C+]2c1ccccc1.[Cu+].[Cu+]
InChIInChI=1S/2C48H36N4.2Cu/c2*1-3-35-36(4-2)48-46(34-23-15-8-16-24-34)42-30-28-40(51-42)44(32-19-11-6-12-20-32)38-26-25-37(49-38)43(31-17-9-5-10-18-31)39-27-29-41(50-39)45(47(35)52-48)33-21-13-7-14-22-33;;/h2*5-30H,3-4H2,1-2H3;;/q-2;;2*+1/b43-37-,44-38-;;;
InChIKeyCARXPVFUVNGCMT-BCQGHUIESA-N
MW1464.78 g/mol
LogP20.63
Rot. Bonds12

About bis(copper(1+));2,3-diethyl-5,10,15,20-tetraphenylporphyrin-5,20-diylium-21,22,23,24-tetraide;2,3-diethyl-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide

bis(copper(1+));2,3-diethyl-5,10,15,20-tetraphenylporphyrin-5,20-diylium-21,22,23,24-tetraide;2,3-diethyl-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide (PubChem CID 139135143) has the molecular formula C96H72Cu2N8 and a molecular weight of 1464.78 g/mol. Its IUPAC name is bis(copper(1+));2,3-diethyl-5,10,15,20-tetraphenylporphyrin-5,20-diylium-21,22,23,24-tetraide;2,3-diethyl-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide.

Molecular Properties

Compound Namebis(copper(1+));2,3-diethyl-5,10,15,20-tetraphenylporphyrin-5,20-diylium-21,22,23,24-tetraide;2,3-diethyl-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide
PubChem CID139135143
Molecular FormulaC96H72Cu2N8
Molecular Weight1464.78 g/mol
Exact Mass1462.45
IUPAC Namebis(copper(1+));2,3-diethyl-5,10,15,20-tetraphenylporphyrin-5,20-diylium-21,22,23,24-tetraide;2,3-diethyl-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide
SMILESCCc1c(CC)c2[n-]c1[c+](-c1ccccc1)c1ccc([n-]1)c(-c1ccccc1)c1ccc([n-]1)c(-c1ccccc1)c1ccc([n-]1)[c+]2-c1ccccc1.CCc1c2[n-]c(c1CC)[C+](c1ccccc1)c1ccc([n-]1)[C+](c1ccccc1)c1ccc([n-]1)[C+](c1ccccc1)c1ccc([n-]1)[C+]2c1ccccc1.[Cu+].[Cu+]
InChIInChI=1S/2C48H36N4.2Cu/c2*1-3-35-36(4-2)48-46(34-23-15-8-16-24-34)42-30-28-40(51-42)44(32-19-11-6-12-20-32)38-26-25-37(49-38)43(31-17-9-5-10-18-31)39-27-29-41(50-39)45(47(35)52-48)33-21-13-7-14-22-33;;/h2*5-30H,3-4H2,1-2H3;;/q-2;;2*+1/b43-37-,44-38-;;;
InChIKeyCARXPVFUVNGCMT-BCQGHUIESA-N
XLogP20.63
TPSA112.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001464.78
LogP ≤ 520.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(copper(1+));2,3-diethyl-5,10,15,20-tetraphenylporphyrin-5,20-diylium-21,22,23,24-tetraide;2,3-diethyl-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(copper(1+));2,3-diethyl-5,10,15,20-tetraphenylporphyrin-5,20-diylium-21,22,23,24-tetraide;2,3-diethyl-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide?
The IUPAC name of bis(copper(1+));2,3-diethyl-5,10,15,20-tetraphenylporphyrin-5,20-diylium-21,22,23,24-tetraide;2,3-diethyl-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide (CID 139135143) is bis(copper(1+));2,3-diethyl-5,10,15,20-tetraphenylporphyrin-5,20-diylium-21,22,23,24-tetraide;2,3-diethyl-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide.
What is the SMILES notation for bis(copper(1+));2,3-diethyl-5,10,15,20-tetraphenylporphyrin-5,20-diylium-21,22,23,24-tetraide;2,3-diethyl-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide?
The canonical SMILES for bis(copper(1+));2,3-diethyl-5,10,15,20-tetraphenylporphyrin-5,20-diylium-21,22,23,24-tetraide;2,3-diethyl-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide is CCc1c(CC)c2[n-]c1[c+](-c1ccccc1)c1ccc([n-]1)c(-c1ccccc1)c1ccc([n-]1)c(-c1ccccc1)c1ccc([n-]1)[c+]2-c1ccccc1.CCc1c2[n-]c(c1CC)[C+](c1ccccc1)c1ccc([n-]1)[C+](c1ccccc1)c1ccc([n-]1)[C+](c1ccccc1)c1ccc([n-]1)[C+]2c1ccccc1.[Cu+].[Cu+].
What is the InChIKey of bis(copper(1+));2,3-diethyl-5,10,15,20-tetraphenylporphyrin-5,20-diylium-21,22,23,24-tetraide;2,3-diethyl-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide?
The InChIKey is CARXPVFUVNGCMT-BCQGHUIESA-N. The full InChI is InChI=1S/2C48H36N4.2Cu/c2*1-3-35-36(4-2)48-46(34-23-15-8-16-24-34)42-30-28-40(51-42)44(32-19-11-6-12-20-32)38-26-25-37(49-38)43(31-17-9-5-10-18-31)39-27-29-41(50-39)45(47(35)52-48)33-21-13-7-14-22-33;;/h2*5-30H,3-4H2,1-2H3;;/q-2;;2*+1/b43-37-,44-38-;;;.
What are the key properties of bis(copper(1+));2,3-diethyl-5,10,15,20-tetraphenylporphyrin-5,20-diylium-21,22,23,24-tetraide;2,3-diethyl-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide?
bis(copper(1+));2,3-diethyl-5,10,15,20-tetraphenylporphyrin-5,20-diylium-21,22,23,24-tetraide;2,3-diethyl-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide has a molecular weight of 1464.78 g/mol, XLogP of 20.63, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(copper(1+));2,3-diethyl-5,10,15,20-tetraphenylporphyrin-5,20-diylium-21,22,23,24-tetraide;2,3-diethyl-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide is sourced from PubChem (CID 139135143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).