cobalt;2,11,14,17,26,29-hexamethyl-3,10,18,25-tetrazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,10,12,14,16(32),17,19,21,23,25,27(31),28-hexadecaene-31,32-diol

C34H32Co2N4O2 — CID 135978068

IUPACcobalt;2,11,14,17,26,29-hexamethyl-3,10,18,25-tetrazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,10,12,14,16(32),17,19,21,23,25,27(31),28-hexadecaene-31,32-diol
SMILESCc1cc2c(C)nc3ccccc3nc(C)c3cc(C)cc(c(C)nc4ccccc4nc(C)c(c1)c2O)c3O.[Co].[Co]
InChIInChI=1S/C34H32N4O2.2Co/c1-19-15-25-21(3)35-29-11-7-9-13-31(29)37-23(5)27-17-20(2)18-28(34(27)40)24(6)38-32-14-10-8-12-30(32)36-22(4)26(16-19)33(25)39;;/h7-18,39-40H,1-6H3;;/b35-21+,36-22+,37-23+,38-24+;;
InChIKeyWXIOWMAQXTULHY-QJFBWXAESA-N
MW646.52 g/mol
LogP7.95
Rot. Bonds

About cobalt;2,11,14,17,26,29-hexamethyl-3,10,18,25-tetrazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,10,12,14,16(32),17,19,21,23,25,27(31),28-hexadecaene-31,32-diol

cobalt;2,11,14,17,26,29-hexamethyl-3,10,18,25-tetrazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,10,12,14,16(32),17,19,21,23,25,27(31),28-hexadecaene-31,32-diol (PubChem CID 135978068) has the molecular formula C34H32Co2N4O2 and a molecular weight of 646.52 g/mol. Its IUPAC name is cobalt;2,11,14,17,26,29-hexamethyl-3,10,18,25-tetrazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,10,12,14,16(32),17,19,21,23,25,27(31),28-hexadecaene-31,32-diol.

Molecular Properties

Compound Namecobalt;2,11,14,17,26,29-hexamethyl-3,10,18,25-tetrazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,10,12,14,16(32),17,19,21,23,25,27(31),28-hexadecaene-31,32-diol
PubChem CID135978068
Molecular FormulaC34H32Co2N4O2
Molecular Weight646.52 g/mol
Exact Mass646.12
IUPAC Namecobalt;2,11,14,17,26,29-hexamethyl-3,10,18,25-tetrazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,10,12,14,16(32),17,19,21,23,25,27(31),28-hexadecaene-31,32-diol
SMILESCc1cc2c(C)nc3ccccc3nc(C)c3cc(C)cc(c(C)nc4ccccc4nc(C)c(c1)c2O)c3O.[Co].[Co]
InChIInChI=1S/C34H32N4O2.2Co/c1-19-15-25-21(3)35-29-11-7-9-13-31(29)37-23(5)27-17-20(2)18-28(34(27)40)24(6)38-32-14-10-8-12-30(32)36-22(4)26(16-19)33(25)39;;/h7-18,39-40H,1-6H3;;/b35-21+,36-22+,37-23+,38-24+;;
InChIKeyWXIOWMAQXTULHY-QJFBWXAESA-N
XLogP7.95
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.52
LogP ≤ 57.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze cobalt;2,11,14,17,26,29-hexamethyl-3,10,18,25-tetrazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,10,12,14,16(32),17,19,21,23,25,27(31),28-hexadecaene-31,32-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of cobalt;2,11,14,17,26,29-hexamethyl-3,10,18,25-tetrazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,10,12,14,16(32),17,19,21,23,25,27(31),28-hexadecaene-31,32-diol?
The IUPAC name of cobalt;2,11,14,17,26,29-hexamethyl-3,10,18,25-tetrazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,10,12,14,16(32),17,19,21,23,25,27(31),28-hexadecaene-31,32-diol (CID 135978068) is cobalt;2,11,14,17,26,29-hexamethyl-3,10,18,25-tetrazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,10,12,14,16(32),17,19,21,23,25,27(31),28-hexadecaene-31,32-diol.
What is the SMILES notation for cobalt;2,11,14,17,26,29-hexamethyl-3,10,18,25-tetrazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,10,12,14,16(32),17,19,21,23,25,27(31),28-hexadecaene-31,32-diol?
The canonical SMILES for cobalt;2,11,14,17,26,29-hexamethyl-3,10,18,25-tetrazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,10,12,14,16(32),17,19,21,23,25,27(31),28-hexadecaene-31,32-diol is Cc1cc2c(C)nc3ccccc3nc(C)c3cc(C)cc(c(C)nc4ccccc4nc(C)c(c1)c2O)c3O.[Co].[Co].
What is the InChIKey of cobalt;2,11,14,17,26,29-hexamethyl-3,10,18,25-tetrazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,10,12,14,16(32),17,19,21,23,25,27(31),28-hexadecaene-31,32-diol?
The InChIKey is WXIOWMAQXTULHY-QJFBWXAESA-N. The full InChI is InChI=1S/C34H32N4O2.2Co/c1-19-15-25-21(3)35-29-11-7-9-13-31(29)37-23(5)27-17-20(2)18-28(34(27)40)24(6)38-32-14-10-8-12-30(32)36-22(4)26(16-19)33(25)39;;/h7-18,39-40H,1-6H3;;/b35-21+,36-22+,37-23+,38-24+;;.
What are the key properties of cobalt;2,11,14,17,26,29-hexamethyl-3,10,18,25-tetrazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,10,12,14,16(32),17,19,21,23,25,27(31),28-hexadecaene-31,32-diol?
cobalt;2,11,14,17,26,29-hexamethyl-3,10,18,25-tetrazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,10,12,14,16(32),17,19,21,23,25,27(31),28-hexadecaene-31,32-diol has a molecular weight of 646.52 g/mol, XLogP of 7.95, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;2,11,14,17,26,29-hexamethyl-3,10,18,25-tetrazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,10,12,14,16(32),17,19,21,23,25,27(31),28-hexadecaene-31,32-diol is sourced from PubChem (CID 135978068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).