dizinc;5,10,15-triphenyl-20-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)porphyrin-22,24-diide

C76H46N8Zn2 — CID 134908932

About dizinc;5,10,15-triphenyl-20-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)porphyrin-22,24-diide

dizinc;5,10,15-triphenyl-20-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)porphyrin-22,24-diide (PubChem CID 134908932) has the molecular formula C76H46N8Zn2 and a molecular weight of 1202.04 g/mol. Its IUPAC name is dizinc;5,10,15-triphenyl-20-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)porphyrin-22,24-diide.

Molecular Properties

• Compound Name: dizinc;5,10,15-triphenyl-20-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)porphyrin-22,24-diide
• PubChem CID: 134908932
• Molecular Formula: C76H46N8Zn2
• Molecular Weight: 1202.04 g/mol
• Exact Mass: 1198.24
• IUPAC Name: dizinc;5,10,15-triphenyl-20-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)porphyrin-22,24-diide
• SMILES: C1=Cc2nc1c(-c1ccccc1)c1ccc([n-]1)c(-c1ccccc1)c1nc(c(-c3c4nc(c(-c5ccccc5)c5ccc([n-]5)c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc3[n-]6)C=C5)C=C4)c3ccc([n-]3)c2-c2ccccc2)C=C1.[Zn+2].[Zn+2]
• InChI: InChI=1S/C76H46N8.2Zn/c1-7-19-47(20-8-1)69-53-31-35-57(77-53)71(49-23-11-3-12-24-49)61-39-43-65(81-61)75(66-44-40-62(82-66)72(50-25-13-4-14-26-50)58-36-32-54(69)78-58)76-67-45-41-63(83-67)73(51-27-15-5-16-28-51)59-37-33-55(79-59)70(48-21-9-2-10-22-48)56-34-38-60(80-56)74(52-29-17-6-18-30-52)64-42-46-68(76)84-64;;/h1-46H;;/q-4;2*+2/b69-53-,69-54-,70-55-,70-56-,71-57-,71-61-,72-58-,72-62-,73-59-,73-63-,74-60-,74-64-,75-65+,75-66+,76-67+,76-68+
• InChIKey: GEATZRAYTDJLAU-HWNMUZRGSA-N
• XLogP: 17.81
• TPSA: 107.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1202.04
LogP ≤ 5	17.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dizinc;5,10,15-triphenyl-20-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)porphyrin-22,24-diide?

The IUPAC name of dizinc;5,10,15-triphenyl-20-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)porphyrin-22,24-diide (CID 134908932) is dizinc;5,10,15-triphenyl-20-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)porphyrin-22,24-diide.

What is the SMILES notation for dizinc;5,10,15-triphenyl-20-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)porphyrin-22,24-diide?

The canonical SMILES for dizinc;5,10,15-triphenyl-20-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)porphyrin-22,24-diide is C1=Cc2nc1c(-c1ccccc1)c1ccc([n-]1)c(-c1ccccc1)c1nc(c(-c3c4nc(c(-c5ccccc5)c5ccc([n-]5)c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc3[n-]6)C=C5)C=C4)c3ccc([n-]3)c2-c2ccccc2)C=C1.[Zn+2].[Zn+2].

What is the InChIKey of dizinc;5,10,15-triphenyl-20-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)porphyrin-22,24-diide?

The InChIKey is GEATZRAYTDJLAU-HWNMUZRGSA-N. The full InChI is InChI=1S/C76H46N8.2Zn/c1-7-19-47(20-8-1)69-53-31-35-57(77-53)71(49-23-11-3-12-24-49)61-39-43-65(81-61)75(66-44-40-62(82-66)72(50-25-13-4-14-26-50)58-36-32-54(69)78-58)76-67-45-41-63(83-67)73(51-27-15-5-16-28-51)59-37-33-55(79-59)70(48-21-9-2-10-22-48)56-34-38-60(80-56)74(52-29-17-6-18-30-52)64-42-46-68(76)84-64;;/h1-46H;;/q-4;2*+2/b69-53-,69-54-,70-55-,70-56-,71-57-,71-61-,72-58-,72-62-,73-59-,73-63-,74-60-,74-64-,75-65+,75-66+,76-67+,76-68+;;.

What are the key properties of dizinc;5,10,15-triphenyl-20-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)porphyrin-22,24-diide?

dizinc;5,10,15-triphenyl-20-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)porphyrin-22,24-diide has a molecular weight of 1202.04 g/mol, XLogP of 17.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for dizinc;5,10,15-triphenyl-20-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)porphyrin-22,24-diide is sourced from PubChem (CID 134908932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).