boric acid;manganese;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin

C44H33BMnN4O3 — CID 158544247

IUPACboric acid;manganese;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
SMILESC1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C=C1.OB(O)O.[Mn]
InChIInChI=1S/C44H30N4.BH3O3.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;2-1(3)4;/h1-28,45,48H;2-4H;/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;;
InChIKeyHOXDJZHVMXTWTA-YKKPBKTHSA-N
MW731.52 g/mol
LogP9.27
Rot. Bonds4

About boric acid;manganese;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin

boric acid;manganese;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin (PubChem CID 158544247) has the molecular formula C44H33BMnN4O3 and a molecular weight of 731.52 g/mol. Its IUPAC name is boric acid;manganese;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin.

Molecular Properties

Compound Nameboric acid;manganese;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
PubChem CID158544247
Molecular FormulaC44H33BMnN4O3
Molecular Weight731.52 g/mol
Exact Mass731.20
IUPAC Nameboric acid;manganese;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
SMILESC1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C=C1.OB(O)O.[Mn]
InChIInChI=1S/C44H30N4.BH3O3.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;2-1(3)4;/h1-28,45,48H;2-4H;/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;;
InChIKeyHOXDJZHVMXTWTA-YKKPBKTHSA-N
XLogP9.27
TPSA118.05 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.52
LogP ≤ 59.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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(2R,3S)-5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin-2,3-diol
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CID 135425278
5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin
CID 135870605
3-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)phenol
CID 3979172
5,10,15-triphenyl-20-[6-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenanthren-3-yl]-21,23-dihydroporphyrin
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4-(5,15-diphenyl-22,23-dihydro-21H-corrin-10-yl)benzoic acid
CID 136902021
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5,10,20-triphenyl-15-(1-phenylethenyl)-21,22-dihydroporphyrin
CID 11585655

Frequently Asked Questions

What is the IUPAC name of boric acid;manganese;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin?
The IUPAC name of boric acid;manganese;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin (CID 158544247) is boric acid;manganese;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin.
What is the SMILES notation for boric acid;manganese;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin?
The canonical SMILES for boric acid;manganese;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin is C1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C=C1.OB(O)O.[Mn].
What is the InChIKey of boric acid;manganese;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin?
The InChIKey is HOXDJZHVMXTWTA-YKKPBKTHSA-N. The full InChI is InChI=1S/C44H30N4.BH3O3.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;2-1(3)4;/h1-28,45,48H;2-4H;/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;;.
What are the key properties of boric acid;manganese;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin?
boric acid;manganese;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin has a molecular weight of 731.52 g/mol, XLogP of 9.27, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;manganese;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin is sourced from PubChem (CID 158544247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).