manganese(3+);2,3,7,8,12,13,17,18-octabromo-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)corrin-21,22,24-triide

C37Br8F15MnN4 — CID 11263426

IUPACmanganese(3+);2,3,7,8,12,13,17,18-octabromo-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)corrin-21,22,24-triide
SMILESFc1c(F)c(F)c(-c2c3nc(c(-c4c(F)c(F)c(F)c(F)c4F)c4[n-]c(c(Br)c4Br)c4[n-]c(c(Br)c4Br)c(-c4c(F)c(F)c(F)c(F)c4F)c4[n-]c2c(Br)c4Br)C(Br)=C3Br)c(F)c1F.[Mn+3]
InChIInChI=1S/C37Br8F15N4.Mn/c38-7-9(40)32-5(2-17(48)23(54)28(59)24(55)18(2)49)34-11(42)13(44)36(63-34)37-14(45)12(43)35(64-37)6(3-19(50)25(56)29(60)26(57)20(3)51)33-10(41)8(39)31(62-33)4(30(7)61-32)1-15(46)21(52)27(58)22(53)16(1)47;/q-3;+3/b30-4-,31-4-,32-5-,33-6-,34-5-,35-6-,37-36-;
InChIKeyMXRDJWWNGONQNU-DARROJDVSA-N
MW1479.57 g/mol
LogP16.69
Rot. Bonds3

About manganese(3+);2,3,7,8,12,13,17,18-octabromo-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)corrin-21,22,24-triide

manganese(3+);2,3,7,8,12,13,17,18-octabromo-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)corrin-21,22,24-triide (PubChem CID 11263426) has the molecular formula C37Br8F15MnN4 and a molecular weight of 1479.57 g/mol. Its IUPAC name is manganese(3+);2,3,7,8,12,13,17,18-octabromo-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)corrin-21,22,24-triide.

Molecular Properties

Compound Namemanganese(3+);2,3,7,8,12,13,17,18-octabromo-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)corrin-21,22,24-triide
PubChem CID11263426
Molecular FormulaC37Br8F15MnN4
Molecular Weight1479.57 g/mol
Exact Mass1471.27
IUPAC Namemanganese(3+);2,3,7,8,12,13,17,18-octabromo-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)corrin-21,22,24-triide
SMILESFc1c(F)c(F)c(-c2c3nc(c(-c4c(F)c(F)c(F)c(F)c4F)c4[n-]c(c(Br)c4Br)c4[n-]c(c(Br)c4Br)c(-c4c(F)c(F)c(F)c(F)c4F)c4[n-]c2c(Br)c4Br)C(Br)=C3Br)c(F)c1F.[Mn+3]
InChIInChI=1S/C37Br8F15N4.Mn/c38-7-9(40)32-5(2-17(48)23(54)28(59)24(55)18(2)49)34-11(42)13(44)36(63-34)37-14(45)12(43)35(64-37)6(3-19(50)25(56)29(60)26(57)20(3)51)33-10(41)8(39)31(62-33)4(30(7)61-32)1-15(46)21(52)27(58)22(53)16(1)47;/q-3;+3/b30-4-,31-4-,32-5-,33-6-,34-5-,35-6-,37-36-;
InChIKeyMXRDJWWNGONQNU-DARROJDVSA-N
XLogP16.69
TPSA55.19 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001479.57
LogP ≤ 516.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of manganese(3+);2,3,7,8,12,13,17,18-octabromo-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)corrin-21,22,24-triide?
The IUPAC name of manganese(3+);2,3,7,8,12,13,17,18-octabromo-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)corrin-21,22,24-triide (CID 11263426) is manganese(3+);2,3,7,8,12,13,17,18-octabromo-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)corrin-21,22,24-triide.
What is the SMILES notation for manganese(3+);2,3,7,8,12,13,17,18-octabromo-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)corrin-21,22,24-triide?
The canonical SMILES for manganese(3+);2,3,7,8,12,13,17,18-octabromo-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)corrin-21,22,24-triide is Fc1c(F)c(F)c(-c2c3nc(c(-c4c(F)c(F)c(F)c(F)c4F)c4[n-]c(c(Br)c4Br)c4[n-]c(c(Br)c4Br)c(-c4c(F)c(F)c(F)c(F)c4F)c4[n-]c2c(Br)c4Br)C(Br)=C3Br)c(F)c1F.[Mn+3].
What is the InChIKey of manganese(3+);2,3,7,8,12,13,17,18-octabromo-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)corrin-21,22,24-triide?
The InChIKey is MXRDJWWNGONQNU-DARROJDVSA-N. The full InChI is InChI=1S/C37Br8F15N4.Mn/c38-7-9(40)32-5(2-17(48)23(54)28(59)24(55)18(2)49)34-11(42)13(44)36(63-34)37-14(45)12(43)35(64-37)6(3-19(50)25(56)29(60)26(57)20(3)51)33-10(41)8(39)31(62-33)4(30(7)61-32)1-15(46)21(52)27(58)22(53)16(1)47;/q-3;+3/b30-4-,31-4-,32-5-,33-6-,34-5-,35-6-,37-36-;.
What are the key properties of manganese(3+);2,3,7,8,12,13,17,18-octabromo-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)corrin-21,22,24-triide?
manganese(3+);2,3,7,8,12,13,17,18-octabromo-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)corrin-21,22,24-triide has a molecular weight of 1479.57 g/mol, XLogP of 16.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for manganese(3+);2,3,7,8,12,13,17,18-octabromo-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)corrin-21,22,24-triide is sourced from PubChem (CID 11263426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).