manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride

C44H30Cl3MnN4 — CID 11657844

IUPACmanganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride
SMILESC1=Cc2nc1c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C=C1.[Cl-].[Cl-].[Cl-].[Mn+3]
InChIInChI=1S/C44H30N4.3ClH.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;;;;/h1-28,45-46H;3*1H;/q;;;;+3/p-3/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;;;;
InChIKeyBKSYAGYUTIFCIC-GVHKZQBISA-K
MW776.05 g/mol
LogP2.33
Rot. Bonds4

About manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride

manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride (PubChem CID 11657844) has the molecular formula C44H30Cl3MnN4 and a molecular weight of 776.05 g/mol. Its IUPAC name is manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride.

Molecular Properties

Compound Namemanganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride
PubChem CID11657844
Molecular FormulaC44H30Cl3MnN4
Molecular Weight776.05 g/mol
Exact Mass774.09
IUPAC Namemanganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride
SMILESC1=Cc2nc1c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C=C1.[Cl-].[Cl-].[Cl-].[Mn+3]
InChIInChI=1S/C44H30N4.3ClH.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;;;;/h1-28,45-46H;3*1H;/q;;;;+3/p-3/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;;;;
InChIKeyBKSYAGYUTIFCIC-GVHKZQBISA-K
XLogP2.33
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500776.05
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride?
The IUPAC name of manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride (CID 11657844) is manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride.
What is the SMILES notation for manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride?
The canonical SMILES for manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride is C1=Cc2nc1c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C=C1.[Cl-].[Cl-].[Cl-].[Mn+3].
What is the InChIKey of manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride?
The InChIKey is BKSYAGYUTIFCIC-GVHKZQBISA-K. The full InChI is InChI=1S/C44H30N4.3ClH.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;;;;/h1-28,45-46H;3*1H;/q;;;;+3/p-3/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-tetraphenyl-21,22-dihydroporphyrin;trichloride?
manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride has a molecular weight of 776.05 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride is sourced from PubChem (CID 11657844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).