manganese(3+);5,10,15,20-tetraphenylporphyrin-22,23-diide;chloride

C44H28ClMnN4 — CID 91864721

IUPACmanganese(3+);5,10,15,20-tetraphenylporphyrin-22,23-diide;chloride
SMILESC1=Cc2nc1c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([n-]3)c(-c3ccccc3)c3ccc([n-]3)c2-c2ccccc2)C=C1.[Cl-].[Mn+3]
InChIInChI=1S/C44H28N4.ClH.Mn/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;;/h1-28H;1H;/q-2;;+3/p-1/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;;
InChIKeyMIUMWNDEIWVIEG-YKKPBKTHSA-M
MW703.13 g/mol
LogP7.58
Rot. Bonds4

About manganese(3+);5,10,15,20-tetraphenylporphyrin-22,23-diide;chloride

manganese(3+);5,10,15,20-tetraphenylporphyrin-22,23-diide;chloride (PubChem CID 91864721) has the molecular formula C44H28ClMnN4 and a molecular weight of 703.13 g/mol. Its IUPAC name is manganese(3+);5,10,15,20-tetraphenylporphyrin-22,23-diide;chloride.

Molecular Properties

Compound Namemanganese(3+);5,10,15,20-tetraphenylporphyrin-22,23-diide;chloride
PubChem CID91864721
Molecular FormulaC44H28ClMnN4
Molecular Weight703.13 g/mol
Exact Mass702.14
IUPAC Namemanganese(3+);5,10,15,20-tetraphenylporphyrin-22,23-diide;chloride
SMILESC1=Cc2nc1c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([n-]3)c(-c3ccccc3)c3ccc([n-]3)c2-c2ccccc2)C=C1.[Cl-].[Mn+3]
InChIInChI=1S/C44H28N4.ClH.Mn/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;;/h1-28H;1H;/q-2;;+3/p-1/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;;
InChIKeyMIUMWNDEIWVIEG-YKKPBKTHSA-M
XLogP7.58
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.13
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of manganese(3+);5,10,15,20-tetraphenylporphyrin-22,23-diide;chloride?
The IUPAC name of manganese(3+);5,10,15,20-tetraphenylporphyrin-22,23-diide;chloride (CID 91864721) is manganese(3+);5,10,15,20-tetraphenylporphyrin-22,23-diide;chloride.
What is the SMILES notation for manganese(3+);5,10,15,20-tetraphenylporphyrin-22,23-diide;chloride?
The canonical SMILES for manganese(3+);5,10,15,20-tetraphenylporphyrin-22,23-diide;chloride is C1=Cc2nc1c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([n-]3)c(-c3ccccc3)c3ccc([n-]3)c2-c2ccccc2)C=C1.[Cl-].[Mn+3].
What is the InChIKey of manganese(3+);5,10,15,20-tetraphenylporphyrin-22,23-diide;chloride?
The InChIKey is MIUMWNDEIWVIEG-YKKPBKTHSA-M. The full InChI is InChI=1S/C44H28N4.ClH.Mn/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;;/h1-28H;1H;/q-2;;+3/p-1/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;;.
What are the key properties of manganese(3+);5,10,15,20-tetraphenylporphyrin-22,23-diide;chloride?
manganese(3+);5,10,15,20-tetraphenylporphyrin-22,23-diide;chloride has a molecular weight of 703.13 g/mol, XLogP of 7.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for manganese(3+);5,10,15,20-tetraphenylporphyrin-22,23-diide;chloride is sourced from PubChem (CID 91864721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).