dizinc;5-[10,20-diphenyl-15-[4-(trifluoromethyl)phenyl]porphyrin-22,24-diid-5-yl]-10,20-diphenyl-15-[4-(trifluoromethyl)phenyl]porphyrin-22,24-diide

C78H44F6N8Zn2 — CID 22835652

IUPACdizinc;5-[10,20-diphenyl-15-[4-(trifluoromethyl)phenyl]porphyrin-22,24-diid-5-yl]-10,20-diphenyl-15-[4-(trifluoromethyl)phenyl]porphyrin-22,24-diide
SMILESFC(F)(F)c1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([n-]4)c(-c4c5nc(c(-c6ccccc6)c6ccc([n-]6)c(-c6ccc(C(F)(F)F)cc6)c6nc(c(-c7ccccc7)c7ccc4[n-]7)C=C6)C=C5)c4nc(c(-c5ccccc5)c5ccc2[n-]5)C=C4)C=C3)cc1.[Zn+2].[Zn+2]
InChIInChI=1S/C78H44F6N8.2Zn/c79-77(80,81)51-25-21-49(22-26-51)73-61-33-29-53(85-61)69(45-13-5-1-6-14-45)57-37-41-65(89-57)75(66-42-38-58(90-66)70(46-15-7-2-8-16-46)54-30-34-62(73)86-54)76-67-43-39-59(91-67)71(47-17-9-3-10-18-47)55-31-35-63(87-55)74(50-23-27-52(28-24-50)78(82,83)84)64-36-32-56(88-64)72(48-19-11-4-12-20-48)60-40-44-68(76)92-60;;/h1-44H;;/q-4;2*+2/b69-53-,69-57-,70-54-,70-58-,71-55-,71-59-,72-56-,72-60-,73-61-,73-62-,74-63-,74-64-,75-65+,75-66+,76-67+,76-68+;;
InChIKeyFCEYVZPBVAZART-DLMDHEPTSA-N
MW1338.03 g/mol
LogP19.84
Rot. Bonds7

About dizinc;5-[10,20-diphenyl-15-[4-(trifluoromethyl)phenyl]porphyrin-22,24-diid-5-yl]-10,20-diphenyl-15-[4-(trifluoromethyl)phenyl]porphyrin-22,24-diide

dizinc;5-[10,20-diphenyl-15-[4-(trifluoromethyl)phenyl]porphyrin-22,24-diid-5-yl]-10,20-diphenyl-15-[4-(trifluoromethyl)phenyl]porphyrin-22,24-diide (PubChem CID 22835652) has the molecular formula C78H44F6N8Zn2 and a molecular weight of 1338.03 g/mol. Its IUPAC name is dizinc;5-[10,20-diphenyl-15-[4-(trifluoromethyl)phenyl]porphyrin-22,24-diid-5-yl]-10,20-diphenyl-15-[4-(trifluoromethyl)phenyl]porphyrin-22,24-diide.

Molecular Properties

Compound Namedizinc;5-[10,20-diphenyl-15-[4-(trifluoromethyl)phenyl]porphyrin-22,24-diid-5-yl]-10,20-diphenyl-15-[4-(trifluoromethyl)phenyl]porphyrin-22,24-diide
PubChem CID22835652
Molecular FormulaC78H44F6N8Zn2
Molecular Weight1338.03 g/mol
Exact Mass1334.22
IUPAC Namedizinc;5-[10,20-diphenyl-15-[4-(trifluoromethyl)phenyl]porphyrin-22,24-diid-5-yl]-10,20-diphenyl-15-[4-(trifluoromethyl)phenyl]porphyrin-22,24-diide
SMILESFC(F)(F)c1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([n-]4)c(-c4c5nc(c(-c6ccccc6)c6ccc([n-]6)c(-c6ccc(C(F)(F)F)cc6)c6nc(c(-c7ccccc7)c7ccc4[n-]7)C=C6)C=C5)c4nc(c(-c5ccccc5)c5ccc2[n-]5)C=C4)C=C3)cc1.[Zn+2].[Zn+2]
InChIInChI=1S/C78H44F6N8.2Zn/c79-77(80,81)51-25-21-49(22-26-51)73-61-33-29-53(85-61)69(45-13-5-1-6-14-45)57-37-41-65(89-57)75(66-42-38-58(90-66)70(46-15-7-2-8-16-46)54-30-34-62(73)86-54)76-67-43-39-59(91-67)71(47-17-9-3-10-18-47)55-31-35-63(87-55)74(50-23-27-52(28-24-50)78(82,83)84)64-36-32-56(88-64)72(48-19-11-4-12-20-48)60-40-44-68(76)92-60;;/h1-44H;;/q-4;2*+2/b69-53-,69-57-,70-54-,70-58-,71-55-,71-59-,72-56-,72-60-,73-61-,73-62-,74-63-,74-64-,75-65+,75-66+,76-67+,76-68+;;
InChIKeyFCEYVZPBVAZART-DLMDHEPTSA-N
XLogP19.84
TPSA107.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001338.03
LogP ≤ 519.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze dizinc;5-[10,20-diphenyl-15-[4-(trifluoromethyl)phenyl]porphyrin-22,24-diid-5-yl]-10,20-diphenyl-15-[4-(trifluoromethyl)phenyl]porphyrin-22,24-diide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dizinc;5-[10,20-diphenyl-15-[4-(trifluoromethyl)phenyl]porphyrin-22,24-diid-5-yl]-10,20-diphenyl-15-[4-(trifluoromethyl)phenyl]porphyrin-22,24-diide?
The IUPAC name of dizinc;5-[10,20-diphenyl-15-[4-(trifluoromethyl)phenyl]porphyrin-22,24-diid-5-yl]-10,20-diphenyl-15-[4-(trifluoromethyl)phenyl]porphyrin-22,24-diide (CID 22835652) is dizinc;5-[10,20-diphenyl-15-[4-(trifluoromethyl)phenyl]porphyrin-22,24-diid-5-yl]-10,20-diphenyl-15-[4-(trifluoromethyl)phenyl]porphyrin-22,24-diide.
What is the SMILES notation for dizinc;5-[10,20-diphenyl-15-[4-(trifluoromethyl)phenyl]porphyrin-22,24-diid-5-yl]-10,20-diphenyl-15-[4-(trifluoromethyl)phenyl]porphyrin-22,24-diide?
The canonical SMILES for dizinc;5-[10,20-diphenyl-15-[4-(trifluoromethyl)phenyl]porphyrin-22,24-diid-5-yl]-10,20-diphenyl-15-[4-(trifluoromethyl)phenyl]porphyrin-22,24-diide is FC(F)(F)c1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([n-]4)c(-c4c5nc(c(-c6ccccc6)c6ccc([n-]6)c(-c6ccc(C(F)(F)F)cc6)c6nc(c(-c7ccccc7)c7ccc4[n-]7)C=C6)C=C5)c4nc(c(-c5ccccc5)c5ccc2[n-]5)C=C4)C=C3)cc1.[Zn+2].[Zn+2].
What is the InChIKey of dizinc;5-[10,20-diphenyl-15-[4-(trifluoromethyl)phenyl]porphyrin-22,24-diid-5-yl]-10,20-diphenyl-15-[4-(trifluoromethyl)phenyl]porphyrin-22,24-diide?
The InChIKey is FCEYVZPBVAZART-DLMDHEPTSA-N. The full InChI is InChI=1S/C78H44F6N8.2Zn/c79-77(80,81)51-25-21-49(22-26-51)73-61-33-29-53(85-61)69(45-13-5-1-6-14-45)57-37-41-65(89-57)75(66-42-38-58(90-66)70(46-15-7-2-8-16-46)54-30-34-62(73)86-54)76-67-43-39-59(91-67)71(47-17-9-3-10-18-47)55-31-35-63(87-55)74(50-23-27-52(28-24-50)78(82,83)84)64-36-32-56(88-64)72(48-19-11-4-12-20-48)60-40-44-68(76)92-60;;/h1-44H;;/q-4;2*+2/b69-53-,69-57-,70-54-,70-58-,71-55-,71-59-,72-56-,72-60-,73-61-,73-62-,74-63-,74-64-,75-65+,75-66+,76-67+,76-68+;;.
What are the key properties of dizinc;5-[10,20-diphenyl-15-[4-(trifluoromethyl)phenyl]porphyrin-22,24-diid-5-yl]-10,20-diphenyl-15-[4-(trifluoromethyl)phenyl]porphyrin-22,24-diide?
dizinc;5-[10,20-diphenyl-15-[4-(trifluoromethyl)phenyl]porphyrin-22,24-diid-5-yl]-10,20-diphenyl-15-[4-(trifluoromethyl)phenyl]porphyrin-22,24-diide has a molecular weight of 1338.03 g/mol, XLogP of 19.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dizinc;5-[10,20-diphenyl-15-[4-(trifluoromethyl)phenyl]porphyrin-22,24-diid-5-yl]-10,20-diphenyl-15-[4-(trifluoromethyl)phenyl]porphyrin-22,24-diide is sourced from PubChem (CID 22835652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).