difluoromanganese;21,22-dihydroporphyrin

C20H14F2MnN4 — CID 71270819

IUPACdifluoromanganese;21,22-dihydroporphyrin
SMILESC1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.F[Mn]F
InChIInChI=1S/C20H14N4.2FH.Mn/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14;;;/h1-12,21-22H;2*1H;/q;;;+2/p-2/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;;;
InChIKeyAEAQIDSOWWXAHI-PWUAHTGRSA-L
MW403.29 g/mol
LogP5.49
Rot. Bonds

About difluoromanganese;21,22-dihydroporphyrin

difluoromanganese;21,22-dihydroporphyrin (PubChem CID 71270819) has the molecular formula C20H14F2MnN4 and a molecular weight of 403.29 g/mol. Its IUPAC name is difluoromanganese;21,22-dihydroporphyrin.

Molecular Properties

Compound Namedifluoromanganese;21,22-dihydroporphyrin
PubChem CID71270819
Molecular FormulaC20H14F2MnN4
Molecular Weight403.29 g/mol
Exact Mass403.06
IUPAC Namedifluoromanganese;21,22-dihydroporphyrin
SMILESC1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.F[Mn]F
InChIInChI=1S/C20H14N4.2FH.Mn/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14;;;/h1-12,21-22H;2*1H;/q;;;+2/p-2/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;;;
InChIKeyAEAQIDSOWWXAHI-PWUAHTGRSA-L
XLogP5.49
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.29
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Porphyrin
CID 66868
5,15-Diphenyl-21H,23H-porphine
CID 10895852
5,10,15,20-Tetraphenyl-21,22-dihydroporphyrin
CID 70186
5,15-Diphenyl-2,3,22,24-tetrahydroporphyrin
CID 11719635
meso-Octamethylcalix(4)pyrrole
CID 634396
Phlorin
CID 20055371
(1Z,4Z,9Z,15Z)-5,10,15,20-Tetrakis-(2,6-difluoro-phenyl)-porphyrin
CID 5250181
(1Z,4Z,9Z,15Z)-5,10,15,20-Tetrakis-(2,4-difluoro-phenyl)-porphyrin
CID 10327777
Tetraphenylporphyrin
CID 86280046
(1Z,4Z,9Z,15Z)-5,10,15,20-Tetrakis-(3-fluoro-phenyl)-porphyrin
CID 14227551
Tetrapentylporphyrin
CID 382954
Chlorin
CID 65106

Frequently Asked Questions

What is the IUPAC name of difluoromanganese;21,22-dihydroporphyrin?
The IUPAC name of difluoromanganese;21,22-dihydroporphyrin (CID 71270819) is difluoromanganese;21,22-dihydroporphyrin.
What is the SMILES notation for difluoromanganese;21,22-dihydroporphyrin?
The canonical SMILES for difluoromanganese;21,22-dihydroporphyrin is C1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.F[Mn]F.
What is the InChIKey of difluoromanganese;21,22-dihydroporphyrin?
The InChIKey is AEAQIDSOWWXAHI-PWUAHTGRSA-L. The full InChI is InChI=1S/C20H14N4.2FH.Mn/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14;;;/h1-12,21-22H;2*1H;/q;;;+2/p-2/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;;;.
What are the key properties of difluoromanganese;21,22-dihydroporphyrin?
difluoromanganese;21,22-dihydroporphyrin has a molecular weight of 403.29 g/mol, XLogP of 5.49, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromanganese;21,22-dihydroporphyrin is sourced from PubChem (CID 71270819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).