3-(21,22-dihydroporphyrin-2-yloxy)propane-1,1-diamine;manganese

C23H22MnN6O — CID 70007188

IUPAC3-(21,22-dihydroporphyrin-2-yloxy)propane-1,1-diamine;manganese
SMILESNC(N)CCOc1cc2cc3ccc(cc4nc(cc5nc(cc1[nH]2)C=C5)C=C4)[nH]3.[Mn]
InChIInChI=1S/C23H22N6O.Mn/c24-23(25)7-8-30-22-13-20-11-18-4-3-16(27-18)9-14-1-2-15(26-14)10-17-5-6-19(28-17)12-21(22)29-20;/h1-6,9-13,23,27,29H,7-8,24-25H2;/b14-9-,15-10-,16-9-,17-10-,18-11-,19-12-,20-11-,21-12-;
InChIKeyRJLLFRQFHMMGKU-NYKIHJFWSA-N
MW453.41 g/mol
LogP3.67
Rot. Bonds4

About 3-(21,22-dihydroporphyrin-2-yloxy)propane-1,1-diamine;manganese

3-(21,22-dihydroporphyrin-2-yloxy)propane-1,1-diamine;manganese (PubChem CID 70007188) has the molecular formula C23H22MnN6O and a molecular weight of 453.41 g/mol. Its IUPAC name is 3-(21,22-dihydroporphyrin-2-yloxy)propane-1,1-diamine;manganese.

Molecular Properties

Compound Name3-(21,22-dihydroporphyrin-2-yloxy)propane-1,1-diamine;manganese
PubChem CID70007188
Molecular FormulaC23H22MnN6O
Molecular Weight453.41 g/mol
Exact Mass453.12
IUPAC Name3-(21,22-dihydroporphyrin-2-yloxy)propane-1,1-diamine;manganese
SMILESNC(N)CCOc1cc2cc3ccc(cc4nc(cc5nc(cc1[nH]2)C=C5)C=C4)[nH]3.[Mn]
InChIInChI=1S/C23H22N6O.Mn/c24-23(25)7-8-30-22-13-20-11-18-4-3-16(27-18)9-14-1-2-15(26-14)10-17-5-6-19(28-17)12-21(22)29-20;/h1-6,9-13,23,27,29H,7-8,24-25H2;/b14-9-,15-10-,16-9-,17-10-,18-11-,19-12-,20-11-,21-12-;
InChIKeyRJLLFRQFHMMGKU-NYKIHJFWSA-N
XLogP3.67
TPSA118.63 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.41
LogP ≤ 53.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Trifluoroacetoxyporphyrin
CID 129790189
5-Trifluoroacetoxyporphyrin
CID 129859640
Methoxy phenyl porphyrin
CID 23052210
5-Methoxy-8,8,18,18-tetramethyl-7H,8H,17H,18H-porphyrin
CID 45113058
Methoxy porphyrin
CID 66699316
5-Methoxy-2,3,12,13,22,24-hexahydroporphyrin
CID 67492019
Porphine sulphonate
CID 129690698
Ethoxyporphyrin
CID 129692772
Porphyrin acrylate
CID 129735866
Trimethoxyphenylporphyrin
CID 129773195
Porphyrin perchlorate
CID 129844760
Methoxytetraphenylporphin
CID 135545246

Frequently Asked Questions

What is the IUPAC name of 3-(21,22-dihydroporphyrin-2-yloxy)propane-1,1-diamine;manganese?
The IUPAC name of 3-(21,22-dihydroporphyrin-2-yloxy)propane-1,1-diamine;manganese (CID 70007188) is 3-(21,22-dihydroporphyrin-2-yloxy)propane-1,1-diamine;manganese.
What is the SMILES notation for 3-(21,22-dihydroporphyrin-2-yloxy)propane-1,1-diamine;manganese?
The canonical SMILES for 3-(21,22-dihydroporphyrin-2-yloxy)propane-1,1-diamine;manganese is NC(N)CCOc1cc2cc3ccc(cc4nc(cc5nc(cc1[nH]2)C=C5)C=C4)[nH]3.[Mn].
What is the InChIKey of 3-(21,22-dihydroporphyrin-2-yloxy)propane-1,1-diamine;manganese?
The InChIKey is RJLLFRQFHMMGKU-NYKIHJFWSA-N. The full InChI is InChI=1S/C23H22N6O.Mn/c24-23(25)7-8-30-22-13-20-11-18-4-3-16(27-18)9-14-1-2-15(26-14)10-17-5-6-19(28-17)12-21(22)29-20;/h1-6,9-13,23,27,29H,7-8,24-25H2;/b14-9-,15-10-,16-9-,17-10-,18-11-,19-12-,20-11-,21-12-;.
What are the key properties of 3-(21,22-dihydroporphyrin-2-yloxy)propane-1,1-diamine;manganese?
3-(21,22-dihydroporphyrin-2-yloxy)propane-1,1-diamine;manganese has a molecular weight of 453.41 g/mol, XLogP of 3.67, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(21,22-dihydroporphyrin-2-yloxy)propane-1,1-diamine;manganese is sourced from PubChem (CID 70007188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).