methanol;2,3,7,8,12,13,17,18-octachloro-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc

C46H28Cl8N4O2Zn — CID 139178508

IUPACmethanol;2,3,7,8,12,13,17,18-octachloro-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc
SMILESCO.CO.Clc1c2[n-]c(c1Cl)[C+](c1ccccc1)c1[n-]c(c(Cl)c1Cl)[C+](c1ccccc1)c1[n-]c(c(Cl)c1Cl)[C+](c1ccccc1)c1[n-]c(c(Cl)c1Cl)[C+]2c1ccccc1.[Zn]
InChIInChI=1S/C44H20Cl8N4.2CH4O.Zn/c45-29-31(47)39-26(22-15-7-2-8-16-22)41-33(49)35(51)43(55-41)28(24-19-11-4-12-20-24)44-36(52)34(50)42(56-44)27(23-17-9-3-10-18-23)40-32(48)30(46)38(54-40)25(37(29)53-39)21-13-5-1-6-14-21;2*1-2;/h1-20H;2*2H,1H3;
InChIKeyDWLNGUFNFKMEEW-UHFFFAOYSA-N
MW1017.77 g/mol
LogP12.35
Rot. Bonds4

About methanol;2,3,7,8,12,13,17,18-octachloro-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc

methanol;2,3,7,8,12,13,17,18-octachloro-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc (PubChem CID 139178508) has the molecular formula C46H28Cl8N4O2Zn and a molecular weight of 1017.77 g/mol. Its IUPAC name is methanol;2,3,7,8,12,13,17,18-octachloro-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc.

Molecular Properties

Compound Namemethanol;2,3,7,8,12,13,17,18-octachloro-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc
PubChem CID139178508
Molecular FormulaC46H28Cl8N4O2Zn
Molecular Weight1017.77 g/mol
Exact Mass1011.90
IUPAC Namemethanol;2,3,7,8,12,13,17,18-octachloro-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc
SMILESCO.CO.Clc1c2[n-]c(c1Cl)[C+](c1ccccc1)c1[n-]c(c(Cl)c1Cl)[C+](c1ccccc1)c1[n-]c(c(Cl)c1Cl)[C+](c1ccccc1)c1[n-]c(c(Cl)c1Cl)[C+]2c1ccccc1.[Zn]
InChIInChI=1S/C44H20Cl8N4.2CH4O.Zn/c45-29-31(47)39-26(22-15-7-2-8-16-22)41-33(49)35(51)43(55-41)28(24-19-11-4-12-20-24)44-36(52)34(50)42(56-44)27(23-17-9-3-10-18-23)40-32(48)30(46)38(54-40)25(37(29)53-39)21-13-5-1-6-14-21;2*1-2;/h1-20H;2*2H,1H3;
InChIKeyDWLNGUFNFKMEEW-UHFFFAOYSA-N
XLogP12.35
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001017.77
LogP ≤ 512.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methanol;2,3,7,8,12,13,17,18-octachloro-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc with MolForge

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Related Compounds

Nitrobenzene;5,10,15,20-tetrakis(4-chlorophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;ZINC
CID 139066023
Bis(acetonitrile);2,3,5,7,8,10,12,13,15,17,18,20-dodecakis-phenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;ZINC
CID 139066839
Copper;tris(dichloromethane);2,3,7,8,12,13,17,18-octakis(2-methylpropyl)-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide
CID 139114699

Frequently Asked Questions

What is the IUPAC name of methanol;2,3,7,8,12,13,17,18-octachloro-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc?
The IUPAC name of methanol;2,3,7,8,12,13,17,18-octachloro-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc (CID 139178508) is methanol;2,3,7,8,12,13,17,18-octachloro-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc.
What is the SMILES notation for methanol;2,3,7,8,12,13,17,18-octachloro-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc?
The canonical SMILES for methanol;2,3,7,8,12,13,17,18-octachloro-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc is CO.CO.Clc1c2[n-]c(c1Cl)[C+](c1ccccc1)c1[n-]c(c(Cl)c1Cl)[C+](c1ccccc1)c1[n-]c(c(Cl)c1Cl)[C+](c1ccccc1)c1[n-]c(c(Cl)c1Cl)[C+]2c1ccccc1.[Zn].
What is the InChIKey of methanol;2,3,7,8,12,13,17,18-octachloro-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc?
The InChIKey is DWLNGUFNFKMEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H20Cl8N4.2CH4O.Zn/c45-29-31(47)39-26(22-15-7-2-8-16-22)41-33(49)35(51)43(55-41)28(24-19-11-4-12-20-24)44-36(52)34(50)42(56-44)27(23-17-9-3-10-18-23)40-32(48)30(46)38(54-40)25(37(29)53-39)21-13-5-1-6-14-21;2*1-2;/h1-20H;2*2H,1H3;.
What are the key properties of methanol;2,3,7,8,12,13,17,18-octachloro-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc?
methanol;2,3,7,8,12,13,17,18-octachloro-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc has a molecular weight of 1017.77 g/mol, XLogP of 12.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;2,3,7,8,12,13,17,18-octachloro-5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc is sourced from PubChem (CID 139178508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).