4-(22,24-dihydroporphyrin-2-yl)aniline;manganese

C26H19MnN5 — CID 175481271

IUPAC4-(22,24-dihydroporphyrin-2-yl)aniline;manganese
SMILESNc1ccc(C2=Cc3cc4ccc(cc5nc(cc6ccc(cc2n3)[nH]6)C=C5)[nH]4)cc1.[Mn]
InChIInChI=1S/C26H19N5.Mn/c27-17-3-1-16(2-4-17)25-14-24-13-22-8-7-20(29-22)11-18-5-6-19(28-18)12-21-9-10-23(30-21)15-26(25)31-24;/h1-15,29-30H,27H2;/b18-11-,19-12-,20-11-,21-12-,22-13-,23-15-,24-13-,26-15-;
InChIKeyNJUKZYVZWHXDMZ-LSEBBXRNSA-N
MW456.41 g/mol
LogP5.65
Rot. Bonds1

About 4-(22,24-dihydroporphyrin-2-yl)aniline;manganese

4-(22,24-dihydroporphyrin-2-yl)aniline;manganese (PubChem CID 175481271) has the molecular formula C26H19MnN5 and a molecular weight of 456.41 g/mol. Its IUPAC name is 4-(22,24-dihydroporphyrin-2-yl)aniline;manganese.

Molecular Properties

Compound Name4-(22,24-dihydroporphyrin-2-yl)aniline;manganese
PubChem CID175481271
Molecular FormulaC26H19MnN5
Molecular Weight456.41 g/mol
Exact Mass456.10
IUPAC Name4-(22,24-dihydroporphyrin-2-yl)aniline;manganese
SMILESNc1ccc(C2=Cc3cc4ccc(cc5nc(cc6ccc(cc2n3)[nH]6)C=C5)[nH]4)cc1.[Mn]
InChIInChI=1S/C26H19N5.Mn/c27-17-3-1-16(2-4-17)25-14-24-13-22-8-7-20(29-22)11-18-5-6-19(28-18)12-21-9-10-23(30-21)15-26(25)31-24;/h1-15,29-30H,27H2;/b18-11-,19-12-,20-11-,21-12-,22-13-,23-15-,24-13-,26-15-;
InChIKeyNJUKZYVZWHXDMZ-LSEBBXRNSA-N
XLogP5.65
TPSA83.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.41
LogP ≤ 55.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 175047395
manganese;13-phenyl-21,22-dihydroporphyrin
CID 161047080
iron;13-(4-methoxyphenyl)-21,22-dihydroporphyrin
CID 162251253
7-(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin
CID 174990477
7-(3,4,5-trimethoxyphenyl)-21,23-dihydroporphyrin
CID 173083984
13-(2,6-difluorophenyl)-21,22-dihydroporphyrin
CID 158548276
bis(3-[4-(22,23-dihydroporphyrin-2-yl)phenoxy]propyl-trimethylazanium) dichloride
CID 161166779
21,23-dihydroporphyrin;trihydrochloride
CID 172691359
N-[[5-(22,24-dihydroporphyrin-2-yl)-2-methoxyphenyl]methyl]-N-propylpropan-1-amine
CID 174614460
CID 175757831
CID 175757831
zinc 21,22-dihydroporphyrin
CID 21123910
tert-butyl 3-amino-4-(22,24-dihydroporphyrin-2-yl)benzoate
CID 175400019

Frequently Asked Questions

What is the IUPAC name of 4-(22,24-dihydroporphyrin-2-yl)aniline;manganese?
The IUPAC name of 4-(22,24-dihydroporphyrin-2-yl)aniline;manganese (CID 175481271) is 4-(22,24-dihydroporphyrin-2-yl)aniline;manganese.
What is the SMILES notation for 4-(22,24-dihydroporphyrin-2-yl)aniline;manganese?
The canonical SMILES for 4-(22,24-dihydroporphyrin-2-yl)aniline;manganese is Nc1ccc(C2=Cc3cc4ccc(cc5nc(cc6ccc(cc2n3)[nH]6)C=C5)[nH]4)cc1.[Mn].
What is the InChIKey of 4-(22,24-dihydroporphyrin-2-yl)aniline;manganese?
The InChIKey is NJUKZYVZWHXDMZ-LSEBBXRNSA-N. The full InChI is InChI=1S/C26H19N5.Mn/c27-17-3-1-16(2-4-17)25-14-24-13-22-8-7-20(29-22)11-18-5-6-19(28-18)12-21-9-10-23(30-21)15-26(25)31-24;/h1-15,29-30H,27H2;/b18-11-,19-12-,20-11-,21-12-,22-13-,23-15-,24-13-,26-15-;.
What are the key properties of 4-(22,24-dihydroporphyrin-2-yl)aniline;manganese?
4-(22,24-dihydroporphyrin-2-yl)aniline;manganese has a molecular weight of 456.41 g/mol, XLogP of 5.65, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(22,24-dihydroporphyrin-2-yl)aniline;manganese is sourced from PubChem (CID 175481271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).