manganese;2,3,7,8,12,13,17,18-octabromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin

C44H22Br8MnN4 — CID 175069416

IUPACmanganese;2,3,7,8,12,13,17,18-octabromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
SMILESBrC1=C(Br)c2nc1c(-c1ccccc1)c1[nH]c(c(Br)c1Br)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3[nH]c(c(Br)c3Br)c2-c2ccccc2)C(Br)=C1Br.[Mn]
InChIInChI=1S/C44H22Br8N4.Mn/c45-29-31(47)39-26(22-15-7-2-8-16-22)41-33(49)35(51)43(55-41)28(24-19-11-4-12-20-24)44-36(52)34(50)42(56-44)27(23-17-9-3-10-18-23)40-32(48)30(46)38(54-40)25(37(29)53-39)21-13-5-1-6-14-21;/h1-20,53,56H;/b37-25-,38-25-,39-26-,40-27-,41-26-,42-27-,43-28-,44-28-;
InChIKeyVQQQRROPNPJJJV-OEHKZIGDSA-N
MW1300.86 g/mol
LogP17.26
Rot. Bonds4

About manganese;2,3,7,8,12,13,17,18-octabromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin

manganese;2,3,7,8,12,13,17,18-octabromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin (PubChem CID 175069416) has the molecular formula C44H22Br8MnN4 and a molecular weight of 1300.86 g/mol. Its IUPAC name is manganese;2,3,7,8,12,13,17,18-octabromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin.

Molecular Properties

Compound Namemanganese;2,3,7,8,12,13,17,18-octabromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
PubChem CID175069416
Molecular FormulaC44H22Br8MnN4
Molecular Weight1300.86 g/mol
Exact Mass1292.47
IUPAC Namemanganese;2,3,7,8,12,13,17,18-octabromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
SMILESBrC1=C(Br)c2nc1c(-c1ccccc1)c1[nH]c(c(Br)c1Br)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3[nH]c(c(Br)c3Br)c2-c2ccccc2)C(Br)=C1Br.[Mn]
InChIInChI=1S/C44H22Br8N4.Mn/c45-29-31(47)39-26(22-15-7-2-8-16-22)41-33(49)35(51)43(55-41)28(24-19-11-4-12-20-24)44-36(52)34(50)42(56-44)27(23-17-9-3-10-18-23)40-32(48)30(46)38(54-40)25(37(29)53-39)21-13-5-1-6-14-21;/h1-20,53,56H;/b37-25-,38-25-,39-26-,40-27-,41-26-,42-27-,43-28-,44-28-;
InChIKeyVQQQRROPNPJJJV-OEHKZIGDSA-N
XLogP17.26
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001300.86
LogP ≤ 517.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cobalt;2,3,7,8,12,13,17,18-octabromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 175010116
2,3,7,8,12,13,17,18-octabromo-5,10,15,20-tetrapyridin-3-yl-21,23-dihydroporphyrin
CID 136880979
2,7,12,17-tetrabromo-3,8,13,18-tetrafluoro-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 136826469
copper 2,3,7,8,12,13,17,18-octabromo-5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin
CID 10374259
dimethyl 4,5,9,10,14,15-hexabromo-2,7,12,17-tetraphenyl-22,23,24,25-tetrazahexacyclo[16.3.1.13,6.18,11.113,16.019,21]pentacosa-1,3,5,7,9,11(24),12,14,16,18(22)-decaene-20,20-dicarboxylate
CID 15884818
7,8,17,18-tetramethyl-2,3,5,10,12,13,15,20-octakis-phenyl-21,23-dihydroporphyrin
CID 102514058
6,7,15,16,24,25,33,34-octafluoro-2,11,20,29-tetraphenyl-5,8,14,17,23,26,32,35,37,38,39,40-dodecazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene
CID 164815593
5,10,15,20-tetrabenzyl-2,3,7,8,12,13,17,18-octabromo-21,22-dihydroporphyrin
CID 59516752
2,3,7,8,12,13,17,18-octamethyl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 5245967
manganese(2+);2,3,7,8,12,13,17,18-octabromo-5,10,15,20-tetra(pyren-1-yl)-21,23-dihydroporphyrin
CID 175074369
2,3,5,7,8,10,12,13,15,20-decakis-phenyl-21,23-dihydroporphyrin
CID 101343804
2,3,12,13-tetrabromo-5-(4-nitrophenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 136764923

Frequently Asked Questions

What is the IUPAC name of manganese;2,3,7,8,12,13,17,18-octabromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin?
The IUPAC name of manganese;2,3,7,8,12,13,17,18-octabromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin (CID 175069416) is manganese;2,3,7,8,12,13,17,18-octabromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin.
What is the SMILES notation for manganese;2,3,7,8,12,13,17,18-octabromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin?
The canonical SMILES for manganese;2,3,7,8,12,13,17,18-octabromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin is BrC1=C(Br)c2nc1c(-c1ccccc1)c1[nH]c(c(Br)c1Br)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3[nH]c(c(Br)c3Br)c2-c2ccccc2)C(Br)=C1Br.[Mn].
What is the InChIKey of manganese;2,3,7,8,12,13,17,18-octabromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin?
The InChIKey is VQQQRROPNPJJJV-OEHKZIGDSA-N. The full InChI is InChI=1S/C44H22Br8N4.Mn/c45-29-31(47)39-26(22-15-7-2-8-16-22)41-33(49)35(51)43(55-41)28(24-19-11-4-12-20-24)44-36(52)34(50)42(56-44)27(23-17-9-3-10-18-23)40-32(48)30(46)38(54-40)25(37(29)53-39)21-13-5-1-6-14-21;/h1-20,53,56H;/b37-25-,38-25-,39-26-,40-27-,41-26-,42-27-,43-28-,44-28-;.
What are the key properties of manganese;2,3,7,8,12,13,17,18-octabromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin?
manganese;2,3,7,8,12,13,17,18-octabromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin has a molecular weight of 1300.86 g/mol, XLogP of 17.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for manganese;2,3,7,8,12,13,17,18-octabromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin is sourced from PubChem (CID 175069416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).