bis(cobalt(2+));2,2,34,34-tetraethyl-18,50-dimethyl-15,21,47,53-tetraoxa-8,18,28,40,50,60-hexaza-65,66,67,68-tetrazanidanonacyclo[60.2.1.13,6.130,33.135,38.09,14.022,27.041,46.054,59]octahexaconta-1(64),3,5,7,9,11,13,22,24,26,28,30,32,35,37,39,41,43,45,54,56,58,60,62-tetracosaene

C64H70Co2N10O4 — CID 139159035

IUPACbis(cobalt(2+));2,2,34,34-tetraethyl-18,50-dimethyl-15,21,47,53-tetraoxa-8,18,28,40,50,60-hexaza-65,66,67,68-tetrazanidanonacyclo[60.2.1.13,6.130,33.135,38.09,14.022,27.041,46.054,59]octahexaconta-1(64),3,5,7,9,11,13,22,24,26,28,30,32,35,37,39,41,43,45,54,56,58,60,62-tetracosaene
SMILESCCC1(CC)c2ccc([n-]2)/C=N\c2ccccc2OCCN(C)CCOc2ccccc2/N=C/c2ccc([n-]2)C(CC)(CC)c2ccc([n-]2)/C=N/c2ccccc2OCCN(C)CCOc2ccccc2/N=C\c2ccc1[n-]2.[Co+2].[Co+2]
InChIInChI=1S/C64H70N10O4.2Co/c1-7-63(8-2)59-31-27-47(69-59)43-65-51-19-11-15-23-55(51)75-39-35-73(5)37-41-77-57-25-17-13-21-53(57)67-45-49-29-33-61(71-49)64(9-3,10-4)62-34-30-50(72-62)46-68-54-22-14-18-26-58(54)78-42-38-74(6)36-40-76-56-24-16-12-20-52(56)66-44-48-28-32-60(63)70-48;;/h11-34,43-46H,7-10,35-42H2,1-6H3;;/q-4;2*+2/b65-43-,66-44-,67-45+,68-46+;;
InChIKeyZHNYLDJRXJEWQX-TUNZMICMSA-N
MW1161.20 g/mol
LogP11.82
Rot. Bonds4

About bis(cobalt(2+));2,2,34,34-tetraethyl-18,50-dimethyl-15,21,47,53-tetraoxa-8,18,28,40,50,60-hexaza-65,66,67,68-tetrazanidanonacyclo[60.2.1.13,6.130,33.135,38.09,14.022,27.041,46.054,59]octahexaconta-1(64),3,5,7,9,11,13,22,24,26,28,30,32,35,37,39,41,43,45,54,56,58,60,62-tetracosaene

bis(cobalt(2+));2,2,34,34-tetraethyl-18,50-dimethyl-15,21,47,53-tetraoxa-8,18,28,40,50,60-hexaza-65,66,67,68-tetrazanidanonacyclo[60.2.1.13,6.130,33.135,38.09,14.022,27.041,46.054,59]octahexaconta-1(64),3,5,7,9,11,13,22,24,26,28,30,32,35,37,39,41,43,45,54,56,58,60,62-tetracosaene (PubChem CID 139159035) has the molecular formula C64H70Co2N10O4 and a molecular weight of 1161.20 g/mol. Its IUPAC name is bis(cobalt(2+));2,2,34,34-tetraethyl-18,50-dimethyl-15,21,47,53-tetraoxa-8,18,28,40,50,60-hexaza-65,66,67,68-tetrazanidanonacyclo[60.2.1.13,6.130,33.135,38.09,14.022,27.041,46.054,59]octahexaconta-1(64),3,5,7,9,11,13,22,24,26,28,30,32,35,37,39,41,43,45,54,56,58,60,62-tetracosaene.

Molecular Properties

Compound Namebis(cobalt(2+));2,2,34,34-tetraethyl-18,50-dimethyl-15,21,47,53-tetraoxa-8,18,28,40,50,60-hexaza-65,66,67,68-tetrazanidanonacyclo[60.2.1.13,6.130,33.135,38.09,14.022,27.041,46.054,59]octahexaconta-1(64),3,5,7,9,11,13,22,24,26,28,30,32,35,37,39,41,43,45,54,56,58,60,62-tetracosaene
PubChem CID139159035
Molecular FormulaC64H70Co2N10O4
Molecular Weight1161.20 g/mol
Exact Mass1160.42
IUPAC Namebis(cobalt(2+));2,2,34,34-tetraethyl-18,50-dimethyl-15,21,47,53-tetraoxa-8,18,28,40,50,60-hexaza-65,66,67,68-tetrazanidanonacyclo[60.2.1.13,6.130,33.135,38.09,14.022,27.041,46.054,59]octahexaconta-1(64),3,5,7,9,11,13,22,24,26,28,30,32,35,37,39,41,43,45,54,56,58,60,62-tetracosaene
SMILESCCC1(CC)c2ccc([n-]2)/C=N\c2ccccc2OCCN(C)CCOc2ccccc2/N=C/c2ccc([n-]2)C(CC)(CC)c2ccc([n-]2)/C=N/c2ccccc2OCCN(C)CCOc2ccccc2/N=C\c2ccc1[n-]2.[Co+2].[Co+2]
InChIInChI=1S/C64H70N10O4.2Co/c1-7-63(8-2)59-31-27-47(69-59)43-65-51-19-11-15-23-55(51)75-39-35-73(5)37-41-77-57-25-17-13-21-53(57)67-45-49-29-33-61(71-49)64(9-3,10-4)62-34-30-50(72-62)46-68-54-22-14-18-26-58(54)78-42-38-74(6)36-40-76-56-24-16-12-20-52(56)66-44-48-28-32-60(63)70-48;;/h11-34,43-46H,7-10,35-42H2,1-6H3;;/q-4;2*+2/b65-43-,66-44-,67-45+,68-46+;;
InChIKeyZHNYLDJRXJEWQX-TUNZMICMSA-N
XLogP11.82
TPSA149.24 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001161.20
LogP ≤ 511.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze bis(cobalt(2+));2,2,34,34-tetraethyl-18,50-dimethyl-15,21,47,53-tetraoxa-8,18,28,40,50,60-hexaza-65,66,67,68-tetrazanidanonacyclo[60.2.1.13,6.130,33.135,38.09,14.022,27.041,46.054,59]octahexaconta-1(64),3,5,7,9,11,13,22,24,26,28,30,32,35,37,39,41,43,45,54,56,58,60,62-tetracosaene with MolForge

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Related Compounds

Bis(2,2-diethyl-18-methyl-15,21-dioxa-8,18,28-triaza-33,34-diazanidapentacyclo[28.2.1.13,6.09,14.022,27]tetratriaconta-1(32),3,5,7,9,11,13,22,24,26,28,30-dodecaene);bis(palladium(2+))
CID 139159024
Bis(2,2-diethyl-18-(2,4,6-trimethylphenyl)-15,21-dioxa-8,18,28-triaza-33,34-diazanidapentacyclo[28.2.1.13,6.09,14.022,27]tetratriaconta-1(32),3,5,7,9,11,13,22,24,26,28,30-dodecaene);hexane;bis(palladium(2+))
CID 139159025
18-Methylspiro[15,21-dioxa-8,18,28-triaza-33,34-diazanidapentacyclo[28.2.1.13,6.09,14.022,27]tetratriaconta-1(32),3,5,7,9,11,13,22,24,26,28,30-dodecaene-2,9'-fluorene];palladium(2+)
CID 139159026
Bis(cobalt(2+));bis(2,2-diethyl-18-(2,4,6-trimethylphenyl)-15,21-dioxa-8,18,28-triaza-33,34-diazanidapentacyclo[28.2.1.13,6.09,14.022,27]tetratriaconta-1(32),3,5,7,9,11,13,22,24,26,28,30-dodecaene);hexane
CID 139159031
Benzene;tetrakis(iron(2+));bis(2,2,40,40-tetraethyl-15,18,21,24,27,53,56,59,62,65-decaoxa-8,34,46,72-tetraza-77,78,79,80-tetrazanidanonacyclo[72.2.1.13,6.136,39.141,44.09,14.028,33.047,52.066,71]octaconta-1(76),3,5,7,9,11,13,28,30,32,34,36,38,41,43,45,47,49,51,66,68,70,72,74-tetracosaene)
CID 139159032
CID 139159034
CID 139159034
Bis(cobalt(2+));bis(2,2-diethyl-15,18,21,24,27-pentaoxa-8,34-diaza-39,40-diazanidapentacyclo[34.2.1.13,6.09,14.028,33]tetraconta-1(38),3,5,7,9,11,13,28,30,32,34,36-dodecaene)
CID 139181795
Dipotassium;benzene;2,2-diethyl-15,18,21,24,27-pentaoxa-8,34-diazonia-39,40-diazanidapentacyclo[34.2.1.13,6.09,14.028,33]tetraconta-1(38),3,5,7,9,11,13,28,30,32,34,36-dodecaene
CID 168347851
Oxidanium;benzene;cobalt(2+);18-methylspiro[15,21-dioxa-8,18,28-triaza-33,34-diazanidapentacyclo[28.2.1.13,6.09,14.022,27]tetratriaconta-1(32),3,5,7,9,11,13,22,24,26,28,30-dodecaene-2,9'-fluorene]
CID 168347852
2-[4-[10-(4-Decoxyphenyl)-15,20-bis[4-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl-trimethylazanium
CID 135433394
Trimethyl-[2-[2-[15-[2-[2-(methylamino)ethoxy]phenyl]-20-(2-propoxyphenyl)-10-[2-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl]azanium
CID 135984843
2-[4-[10,15-Bis[4-[3-(triethylazaniumyl)propoxy]phenyl]-20-(4-undecoxyphenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl-diethyl-methylazanium
CID 135997523

Frequently Asked Questions

What is the IUPAC name of bis(cobalt(2+));2,2,34,34-tetraethyl-18,50-dimethyl-15,21,47,53-tetraoxa-8,18,28,40,50,60-hexaza-65,66,67,68-tetrazanidanonacyclo[60.2.1.13,6.130,33.135,38.09,14.022,27.041,46.054,59]octahexaconta-1(64),3,5,7,9,11,13,22,24,26,28,30,32,35,37,39,41,43,45,54,56,58,60,62-tetracosaene?
The IUPAC name of bis(cobalt(2+));2,2,34,34-tetraethyl-18,50-dimethyl-15,21,47,53-tetraoxa-8,18,28,40,50,60-hexaza-65,66,67,68-tetrazanidanonacyclo[60.2.1.13,6.130,33.135,38.09,14.022,27.041,46.054,59]octahexaconta-1(64),3,5,7,9,11,13,22,24,26,28,30,32,35,37,39,41,43,45,54,56,58,60,62-tetracosaene (CID 139159035) is bis(cobalt(2+));2,2,34,34-tetraethyl-18,50-dimethyl-15,21,47,53-tetraoxa-8,18,28,40,50,60-hexaza-65,66,67,68-tetrazanidanonacyclo[60.2.1.13,6.130,33.135,38.09,14.022,27.041,46.054,59]octahexaconta-1(64),3,5,7,9,11,13,22,24,26,28,30,32,35,37,39,41,43,45,54,56,58,60,62-tetracosaene.
What is the SMILES notation for bis(cobalt(2+));2,2,34,34-tetraethyl-18,50-dimethyl-15,21,47,53-tetraoxa-8,18,28,40,50,60-hexaza-65,66,67,68-tetrazanidanonacyclo[60.2.1.13,6.130,33.135,38.09,14.022,27.041,46.054,59]octahexaconta-1(64),3,5,7,9,11,13,22,24,26,28,30,32,35,37,39,41,43,45,54,56,58,60,62-tetracosaene?
The canonical SMILES for bis(cobalt(2+));2,2,34,34-tetraethyl-18,50-dimethyl-15,21,47,53-tetraoxa-8,18,28,40,50,60-hexaza-65,66,67,68-tetrazanidanonacyclo[60.2.1.13,6.130,33.135,38.09,14.022,27.041,46.054,59]octahexaconta-1(64),3,5,7,9,11,13,22,24,26,28,30,32,35,37,39,41,43,45,54,56,58,60,62-tetracosaene is CCC1(CC)c2ccc([n-]2)/C=N\c2ccccc2OCCN(C)CCOc2ccccc2/N=C/c2ccc([n-]2)C(CC)(CC)c2ccc([n-]2)/C=N/c2ccccc2OCCN(C)CCOc2ccccc2/N=C\c2ccc1[n-]2.[Co+2].[Co+2].
What is the InChIKey of bis(cobalt(2+));2,2,34,34-tetraethyl-18,50-dimethyl-15,21,47,53-tetraoxa-8,18,28,40,50,60-hexaza-65,66,67,68-tetrazanidanonacyclo[60.2.1.13,6.130,33.135,38.09,14.022,27.041,46.054,59]octahexaconta-1(64),3,5,7,9,11,13,22,24,26,28,30,32,35,37,39,41,43,45,54,56,58,60,62-tetracosaene?
The InChIKey is ZHNYLDJRXJEWQX-TUNZMICMSA-N. The full InChI is InChI=1S/C64H70N10O4.2Co/c1-7-63(8-2)59-31-27-47(69-59)43-65-51-19-11-15-23-55(51)75-39-35-73(5)37-41-77-57-25-17-13-21-53(57)67-45-49-29-33-61(71-49)64(9-3,10-4)62-34-30-50(72-62)46-68-54-22-14-18-26-58(54)78-42-38-74(6)36-40-76-56-24-16-12-20-52(56)66-44-48-28-32-60(63)70-48;;/h11-34,43-46H,7-10,35-42H2,1-6H3;;/q-4;2*+2/b65-43-,66-44-,67-45+,68-46+;;.
What are the key properties of bis(cobalt(2+));2,2,34,34-tetraethyl-18,50-dimethyl-15,21,47,53-tetraoxa-8,18,28,40,50,60-hexaza-65,66,67,68-tetrazanidanonacyclo[60.2.1.13,6.130,33.135,38.09,14.022,27.041,46.054,59]octahexaconta-1(64),3,5,7,9,11,13,22,24,26,28,30,32,35,37,39,41,43,45,54,56,58,60,62-tetracosaene?
bis(cobalt(2+));2,2,34,34-tetraethyl-18,50-dimethyl-15,21,47,53-tetraoxa-8,18,28,40,50,60-hexaza-65,66,67,68-tetrazanidanonacyclo[60.2.1.13,6.130,33.135,38.09,14.022,27.041,46.054,59]octahexaconta-1(64),3,5,7,9,11,13,22,24,26,28,30,32,35,37,39,41,43,45,54,56,58,60,62-tetracosaene has a molecular weight of 1161.20 g/mol, XLogP of 11.82, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cobalt(2+));2,2,34,34-tetraethyl-18,50-dimethyl-15,21,47,53-tetraoxa-8,18,28,40,50,60-hexaza-65,66,67,68-tetrazanidanonacyclo[60.2.1.13,6.130,33.135,38.09,14.022,27.041,46.054,59]octahexaconta-1(64),3,5,7,9,11,13,22,24,26,28,30,32,35,37,39,41,43,45,54,56,58,60,62-tetracosaene is sourced from PubChem (CID 139159035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).