(6Z)-2-tert-butyl-6-[[[(1R,2R)-2-[[(Z)-[5-tert-butyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-6-oxocyclohexa-2,4-dien-1-ylidene]methyl]amino]cyclohexyl]amino]methylidene]-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)cyclohexa-2,4-dien-1-one;cobalt

C44H36CoF34N2O2 — CID 11240352

IUPAC(6Z)-2-tert-butyl-6-[[[(1R,2R)-2-[[(Z)-[5-tert-butyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-6-oxocyclohexa-2,4-dien-1-ylidene]methyl]amino]cyclohexyl]amino]methylidene]-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)cyclohexa-2,4-dien-1-one;cobalt
SMILESCC(C)(C)C1=CC(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)=C/C(=C/N[C@@H]2CCCC[C@H]2N/C=C2/C=C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=C(C(C)(C)C)C2=O)C1=O.[Co]
InChIInChI=1S/C44H36F34N2O2.Co/c1-27(2,3)21-13-19(29(45,46)31(49,50)33(53,54)35(57,58)37(61,62)39(65,66)41(69,70)43(73,74)75)11-17(25(21)81)15-79-23-9-7-8-10-24(23)80-16-18-12-20(14-22(26(18)82)28(4,5)6)30(47,48)32(51,52)34(55,56)36(59,60)38(63,64)40(67,68)42(71,72)44(76,77)78;/h11-16,23-24,79-80H,7-10H2,1-6H3;/b17-15-,18-16-;/t23-,24-;/m1./s1
InChIKeyJZMPOBSRBSRSTH-IHCKQKAUSA-N
MW1329.65 g/mol
LogP16.22
Rot. Bonds18

About (6Z)-2-tert-butyl-6-[[[(1R,2R)-2-[[(Z)-[5-tert-butyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-6-oxocyclohexa-2,4-dien-1-ylidene]methyl]amino]cyclohexyl]amino]methylidene]-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)cyclohexa-2,4-dien-1-one;cobalt

(6Z)-2-tert-butyl-6-[[[(1R,2R)-2-[[(Z)-[5-tert-butyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-6-oxocyclohexa-2,4-dien-1-ylidene]methyl]amino]cyclohexyl]amino]methylidene]-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)cyclohexa-2,4-dien-1-one;cobalt (PubChem CID 11240352) has the molecular formula C44H36CoF34N2O2 and a molecular weight of 1329.65 g/mol. Its IUPAC name is (6Z)-2-tert-butyl-6-[[[(1R,2R)-2-[[(Z)-[5-tert-butyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-6-oxocyclohexa-2,4-dien-1-ylidene]methyl]amino]cyclohexyl]amino]methylidene]-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)cyclohexa-2,4-dien-1-one;cobalt.

Molecular Properties

Compound Name(6Z)-2-tert-butyl-6-[[[(1R,2R)-2-[[(Z)-[5-tert-butyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-6-oxocyclohexa-2,4-dien-1-ylidene]methyl]amino]cyclohexyl]amino]methylidene]-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)cyclohexa-2,4-dien-1-one;cobalt
PubChem CID11240352
Molecular FormulaC44H36CoF34N2O2
Molecular Weight1329.65 g/mol
Exact Mass1329.16
IUPAC Name(6Z)-2-tert-butyl-6-[[[(1R,2R)-2-[[(Z)-[5-tert-butyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-6-oxocyclohexa-2,4-dien-1-ylidene]methyl]amino]cyclohexyl]amino]methylidene]-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)cyclohexa-2,4-dien-1-one;cobalt
SMILESCC(C)(C)C1=CC(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)=C/C(=C/N[C@@H]2CCCC[C@H]2N/C=C2/C=C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=C(C(C)(C)C)C2=O)C1=O.[Co]
InChIInChI=1S/C44H36F34N2O2.Co/c1-27(2,3)21-13-19(29(45,46)31(49,50)33(53,54)35(57,58)37(61,62)39(65,66)41(69,70)43(73,74)75)11-17(25(21)81)15-79-23-9-7-8-10-24(23)80-16-18-12-20(14-22(26(18)82)28(4,5)6)30(47,48)32(51,52)34(55,56)36(59,60)38(63,64)40(67,68)42(71,72)44(76,77)78;/h11-16,23-24,79-80H,7-10H2,1-6H3;/b17-15-,18-16-;/t23-,24-;/m1./s1
InChIKeyJZMPOBSRBSRSTH-IHCKQKAUSA-N
XLogP16.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001329.65
LogP ≤ 516.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze (6Z)-2-tert-butyl-6-[[[(1R,2R)-2-[[(Z)-[5-tert-butyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-6-oxocyclohexa-2,4-dien-1-ylidene]methyl]amino]cyclohexyl]amino]methylidene]-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)cyclohexa-2,4-dien-1-one;cobalt with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6Z)-2-tert-butyl-6-[[[(1R,2R)-2-[[(Z)-[5-tert-butyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-6-oxocyclohexa-2,4-dien-1-ylidene]methyl]amino]cyclohexyl]amino]methylidene]-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)cyclohexa-2,4-dien-1-one;cobalt?
The IUPAC name of (6Z)-2-tert-butyl-6-[[[(1R,2R)-2-[[(Z)-[5-tert-butyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-6-oxocyclohexa-2,4-dien-1-ylidene]methyl]amino]cyclohexyl]amino]methylidene]-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)cyclohexa-2,4-dien-1-one;cobalt (CID 11240352) is (6Z)-2-tert-butyl-6-[[[(1R,2R)-2-[[(Z)-[5-tert-butyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-6-oxocyclohexa-2,4-dien-1-ylidene]methyl]amino]cyclohexyl]amino]methylidene]-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)cyclohexa-2,4-dien-1-one;cobalt.
What is the SMILES notation for (6Z)-2-tert-butyl-6-[[[(1R,2R)-2-[[(Z)-[5-tert-butyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-6-oxocyclohexa-2,4-dien-1-ylidene]methyl]amino]cyclohexyl]amino]methylidene]-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)cyclohexa-2,4-dien-1-one;cobalt?
The canonical SMILES for (6Z)-2-tert-butyl-6-[[[(1R,2R)-2-[[(Z)-[5-tert-butyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-6-oxocyclohexa-2,4-dien-1-ylidene]methyl]amino]cyclohexyl]amino]methylidene]-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)cyclohexa-2,4-dien-1-one;cobalt is CC(C)(C)C1=CC(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)=C/C(=C/N[C@@H]2CCCC[C@H]2N/C=C2/C=C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=C(C(C)(C)C)C2=O)C1=O.[Co].
What is the InChIKey of (6Z)-2-tert-butyl-6-[[[(1R,2R)-2-[[(Z)-[5-tert-butyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-6-oxocyclohexa-2,4-dien-1-ylidene]methyl]amino]cyclohexyl]amino]methylidene]-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)cyclohexa-2,4-dien-1-one;cobalt?
The InChIKey is JZMPOBSRBSRSTH-IHCKQKAUSA-N. The full InChI is InChI=1S/C44H36F34N2O2.Co/c1-27(2,3)21-13-19(29(45,46)31(49,50)33(53,54)35(57,58)37(61,62)39(65,66)41(69,70)43(73,74)75)11-17(25(21)81)15-79-23-9-7-8-10-24(23)80-16-18-12-20(14-22(26(18)82)28(4,5)6)30(47,48)32(51,52)34(55,56)36(59,60)38(63,64)40(67,68)42(71,72)44(76,77)78;/h11-16,23-24,79-80H,7-10H2,1-6H3;/b17-15-,18-16-;/t23-,24-;/m1./s1.
What are the key properties of (6Z)-2-tert-butyl-6-[[[(1R,2R)-2-[[(Z)-[5-tert-butyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-6-oxocyclohexa-2,4-dien-1-ylidene]methyl]amino]cyclohexyl]amino]methylidene]-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)cyclohexa-2,4-dien-1-one;cobalt?
(6Z)-2-tert-butyl-6-[[[(1R,2R)-2-[[(Z)-[5-tert-butyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-6-oxocyclohexa-2,4-dien-1-ylidene]methyl]amino]cyclohexyl]amino]methylidene]-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)cyclohexa-2,4-dien-1-one;cobalt has a molecular weight of 1329.65 g/mol, XLogP of 16.22, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-2-tert-butyl-6-[[[(1R,2R)-2-[[(Z)-[5-tert-butyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-6-oxocyclohexa-2,4-dien-1-ylidene]methyl]amino]cyclohexyl]amino]methylidene]-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)cyclohexa-2,4-dien-1-one;cobalt is sourced from PubChem (CID 11240352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).