manganese;13-phenyl-21,22-dihydroporphyrin

C26H18MnN4 — CID 161047080

IUPACmanganese;13-phenyl-21,22-dihydroporphyrin
SMILESC1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C(c1ccccc1)=C5)[nH]4)[nH]3.[Mn]
InChIInChI=1S/C26H18N4.Mn/c1-2-4-17(5-3-1)25-15-24-14-22-9-8-20(28-22)12-18-6-7-19(27-18)13-21-10-11-23(29-21)16-26(25)30-24;/h1-16,27-28H;/b18-12-,19-13-,20-12-,21-13-,22-14-,23-16-,24-14-,26-16-;
InChIKeyRGBUOBAZCHBLTI-WCSAAMJVSA-N
MW441.40 g/mol
LogP6.07
Rot. Bonds1

About manganese;13-phenyl-21,22-dihydroporphyrin

manganese;13-phenyl-21,22-dihydroporphyrin (PubChem CID 161047080) has the molecular formula C26H18MnN4 and a molecular weight of 441.40 g/mol. Its IUPAC name is manganese;13-phenyl-21,22-dihydroporphyrin.

Molecular Properties

Compound Namemanganese;13-phenyl-21,22-dihydroporphyrin
PubChem CID161047080
Molecular FormulaC26H18MnN4
Molecular Weight441.40 g/mol
Exact Mass441.09
IUPAC Namemanganese;13-phenyl-21,22-dihydroporphyrin
SMILESC1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C(c1ccccc1)=C5)[nH]4)[nH]3.[Mn]
InChIInChI=1S/C26H18N4.Mn/c1-2-4-17(5-3-1)25-15-24-14-22-9-8-20(28-22)12-18-6-7-19(27-18)13-21-10-11-23(29-21)16-26(25)30-24;/h1-16,27-28H;/b18-12-,19-13-,20-12-,21-13-,22-14-,23-16-,24-14-,26-16-;
InChIKeyRGBUOBAZCHBLTI-WCSAAMJVSA-N
XLogP6.07
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.40
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

iron;13-(4-methoxyphenyl)-21,22-dihydroporphyrin
CID 162251253
4-(22,24-dihydroporphyrin-2-yl)aniline;manganese
CID 175481271
7-(4-chlorophenyl)-21,23-dihydroporphyrin;vanadium
CID 175047395
13-(2,6-difluorophenyl)-21,22-dihydroporphyrin
CID 158548276
7-(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin
CID 174990477
methyl 2-[3-(22,23-dihydroporphyrin-2-yl)phenyl]acetate
CID 172818761
bis(3-[4-(22,23-dihydroporphyrin-2-yl)phenoxy]propyl-trimethylazanium) dichloride
CID 161166779
argon;2-phenyl-21,22-dihydroporphyrin
CID 174855611
benzene;21,22-dihydroporphyrin;nickel;hydrate
CID 174957949
25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1,3,5,7,9,11,13(26),14,16,18(25),19,21,23-tridecaene
CID 58823276
gallane;2,3,5,7-tetraphenyl-21,23-dihydroporphyrin
CID 173010365
7-(3,4,5-trimethoxyphenyl)-21,23-dihydroporphyrin
CID 173083984

Frequently Asked Questions

What is the IUPAC name of manganese;13-phenyl-21,22-dihydroporphyrin?
The IUPAC name of manganese;13-phenyl-21,22-dihydroporphyrin (CID 161047080) is manganese;13-phenyl-21,22-dihydroporphyrin.
What is the SMILES notation for manganese;13-phenyl-21,22-dihydroporphyrin?
The canonical SMILES for manganese;13-phenyl-21,22-dihydroporphyrin is C1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C(c1ccccc1)=C5)[nH]4)[nH]3.[Mn].
What is the InChIKey of manganese;13-phenyl-21,22-dihydroporphyrin?
The InChIKey is RGBUOBAZCHBLTI-WCSAAMJVSA-N. The full InChI is InChI=1S/C26H18N4.Mn/c1-2-4-17(5-3-1)25-15-24-14-22-9-8-20(28-22)12-18-6-7-19(27-18)13-21-10-11-23(29-21)16-26(25)30-24;/h1-16,27-28H;/b18-12-,19-13-,20-12-,21-13-,22-14-,23-16-,24-14-,26-16-;.
What are the key properties of manganese;13-phenyl-21,22-dihydroporphyrin?
manganese;13-phenyl-21,22-dihydroporphyrin has a molecular weight of 441.40 g/mol, XLogP of 6.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for manganese;13-phenyl-21,22-dihydroporphyrin is sourced from PubChem (CID 161047080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).