cobalt(2+);5,10,15,20-tetrakis(4-bromophenyl)-21,23-dihydroporphyrin

C44H26Br4CoN4+2 — CID 175743178

IUPACcobalt(2+);5,10,15,20-tetrakis(4-bromophenyl)-21,23-dihydroporphyrin
SMILESBrc1ccc(-c2c3nc(c(-c4ccc(Br)cc4)c4ccc([nH]4)c(-c4ccc(Br)cc4)c4nc(c(-c5ccc(Br)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.[Co+2]
InChIInChI=1S/C44H26Br4N4.Co/c45-29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(46)12-4-26)37-21-23-39(51-37)44(28-7-15-32(48)16-8-28)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(47)14-6-27;/h1-24,49,52H;/q;+2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;
InChIKeyXYHSYOUPURNHLM-DAJBKUBHSA-N
MW989.27 g/mol
LogP14.37
Rot. Bonds4

About cobalt(2+);5,10,15,20-tetrakis(4-bromophenyl)-21,23-dihydroporphyrin

cobalt(2+);5,10,15,20-tetrakis(4-bromophenyl)-21,23-dihydroporphyrin (PubChem CID 175743178) has the molecular formula C44H26Br4CoN4+2 and a molecular weight of 989.27 g/mol. Its IUPAC name is cobalt(2+);5,10,15,20-tetrakis(4-bromophenyl)-21,23-dihydroporphyrin.

Molecular Properties

Compound Namecobalt(2+);5,10,15,20-tetrakis(4-bromophenyl)-21,23-dihydroporphyrin
PubChem CID175743178
Molecular FormulaC44H26Br4CoN4+2
Molecular Weight989.27 g/mol
Exact Mass984.82
IUPAC Namecobalt(2+);5,10,15,20-tetrakis(4-bromophenyl)-21,23-dihydroporphyrin
SMILESBrc1ccc(-c2c3nc(c(-c4ccc(Br)cc4)c4ccc([nH]4)c(-c4ccc(Br)cc4)c4nc(c(-c5ccc(Br)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.[Co+2]
InChIInChI=1S/C44H26Br4N4.Co/c45-29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(46)12-4-26)37-21-23-39(51-37)44(28-7-15-32(48)16-8-28)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(47)14-6-27;/h1-24,49,52H;/q;+2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;
InChIKeyXYHSYOUPURNHLM-DAJBKUBHSA-N
XLogP14.37
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500989.27
LogP ≤ 514.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[10,15,20-tris(4-bromophenyl)-21,23-dihydroporphyrin-5-yl]phenol;zinc
CID 175076695
cobalt(2+);5,10,15,20-tetrakis(4-fluorophenyl)-21,23-dihydroporphyrin
CID 175701182
5,10,15-tris(4-methylphenyl)-20-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin
CID 102214852
5,10,15,20-tetrakis(4-iodophenyl)-21,23-dihydroporphyrin
CID 135546579
iron;5,10,15,20-tetrakis(4-fluorophenyl)-21,23-dihydroporphyrin
CID 174785933
2-(4-bromophenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 154013194
(4-bromophenyl)-[4-[20-[4-[(4-bromophenyl)diazenyl]phenyl]-10,15-bis(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]diazene
CID 137158184
platinum;4-[10,15,20-tris(4-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
CID 159589008
nickel;5,10,15,20-tetrakis(4-methylphenyl)-21,22-dihydroporphyrin
CID 170920867
nickel;4-[10,15,20-tris(4-aminophenyl)-21,23-dihydroporphyrin-5-yl]aniline
CID 174749730
copper;4-[10,15,20-tris(4-aminophenyl)-21,23-dihydroporphyrin-5-yl]aniline
CID 170158211
5-bromo-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 135425278

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);5,10,15,20-tetrakis(4-bromophenyl)-21,23-dihydroporphyrin?
The IUPAC name of cobalt(2+);5,10,15,20-tetrakis(4-bromophenyl)-21,23-dihydroporphyrin (CID 175743178) is cobalt(2+);5,10,15,20-tetrakis(4-bromophenyl)-21,23-dihydroporphyrin.
What is the SMILES notation for cobalt(2+);5,10,15,20-tetrakis(4-bromophenyl)-21,23-dihydroporphyrin?
The canonical SMILES for cobalt(2+);5,10,15,20-tetrakis(4-bromophenyl)-21,23-dihydroporphyrin is Brc1ccc(-c2c3nc(c(-c4ccc(Br)cc4)c4ccc([nH]4)c(-c4ccc(Br)cc4)c4nc(c(-c5ccc(Br)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.[Co+2].
What is the InChIKey of cobalt(2+);5,10,15,20-tetrakis(4-bromophenyl)-21,23-dihydroporphyrin?
The InChIKey is XYHSYOUPURNHLM-DAJBKUBHSA-N. The full InChI is InChI=1S/C44H26Br4N4.Co/c45-29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(46)12-4-26)37-21-23-39(51-37)44(28-7-15-32(48)16-8-28)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(47)14-6-27;/h1-24,49,52H;/q;+2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;.
What are the key properties of cobalt(2+);5,10,15,20-tetrakis(4-bromophenyl)-21,23-dihydroporphyrin?
cobalt(2+);5,10,15,20-tetrakis(4-bromophenyl)-21,23-dihydroporphyrin has a molecular weight of 989.27 g/mol, XLogP of 14.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);5,10,15,20-tetrakis(4-bromophenyl)-21,23-dihydroporphyrin is sourced from PubChem (CID 175743178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).