molybdenum;bis(2,4,6,8-tetratert-butylphenoxazin-10-ide-1,9-diolate)

C56H76MoN2O6-6 — CID 139142287

IUPACmolybdenum;bis(2,4,6,8-tetratert-butylphenoxazin-10-ide-1,9-diolate)
SMILESCC(C)(C)c1cc(C(C)(C)C)c2c(c1[O-])[N-]c1c([O-])c(C(C)(C)C)cc(C(C)(C)C)c1O2.CC(C)(C)c1cc(C(C)(C)C)c2c(c1[O-])[N-]c1c([O-])c(C(C)(C)C)cc(C(C)(C)C)c1O2.[Mo]
InChIInChI=1S/2C28H40NO3.Mo/c2*1-25(2,3)15-13-17(27(7,8)9)23-19(21(15)30)29-20-22(31)16(26(4,5)6)14-18(24(20)32-23)28(10,11)12;/h2*13-14,30-31H,1-12H3;/q2*-1;/p-4
InChIKeyXUECDZNLICXCPE-UHFFFAOYSA-J
MW969.17 g/mol
LogP14.93
Rot. Bonds

About molybdenum;bis(2,4,6,8-tetratert-butylphenoxazin-10-ide-1,9-diolate)

molybdenum;bis(2,4,6,8-tetratert-butylphenoxazin-10-ide-1,9-diolate) (PubChem CID 139142287) has the molecular formula C56H76MoN2O6-6 and a molecular weight of 969.17 g/mol. Its IUPAC name is molybdenum;bis(2,4,6,8-tetratert-butylphenoxazin-10-ide-1,9-diolate).

Molecular Properties

Compound Namemolybdenum;bis(2,4,6,8-tetratert-butylphenoxazin-10-ide-1,9-diolate)
PubChem CID139142287
Molecular FormulaC56H76MoN2O6-6
Molecular Weight969.17 g/mol
Exact Mass970.48
IUPAC Namemolybdenum;bis(2,4,6,8-tetratert-butylphenoxazin-10-ide-1,9-diolate)
SMILESCC(C)(C)c1cc(C(C)(C)C)c2c(c1[O-])[N-]c1c([O-])c(C(C)(C)C)cc(C(C)(C)C)c1O2.CC(C)(C)c1cc(C(C)(C)C)c2c(c1[O-])[N-]c1c([O-])c(C(C)(C)C)cc(C(C)(C)C)c1O2.[Mo]
InChIInChI=1S/2C28H40NO3.Mo/c2*1-25(2,3)15-13-17(27(7,8)9)23-19(21(15)30)29-20-22(31)16(26(4,5)6)14-18(24(20)32-23)28(10,11)12;/h2*13-14,30-31H,1-12H3;/q2*-1;/p-4
InChIKeyXUECDZNLICXCPE-UHFFFAOYSA-J
XLogP14.93
TPSA138.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500969.17
LogP ≤ 514.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze molybdenum;bis(2,4,6,8-tetratert-butylphenoxazin-10-ide-1,9-diolate) with MolForge

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Related Compounds

chromium(6+);bis(2,4,6,8-tetratert-butylphenoxazin-10-ide-1,9-diolate)
CID 139142290
calcium bis(2,6-ditert-butyl-4-methylphenolate)
CID 162348693
dilithium;4,6-ditert-butyl-2-(3,5-ditert-butyl-2-methyl-6-oxidophenyl)-3-methylphenolate
CID 11236288
lithium 2-tert-butyl-4,6-dimethylphenolate
CID 23711471
bis(2-amino-4,6-ditert-butylphenolate);cobalt(2+)
CID 24809192
3,10-ditert-butyl-7,14-dimethyl-5,12-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,6,8,10,13,15-heptaene
CID 11739540
silver 2,4,8,10-tetratert-butyl-6-oxidobenzo[d][1,3,2]benzodioxaphosphepine 6-oxide
CID 71573958
sodium 2,6-ditert-butylphenolate
CID 23662146
4,8-ditert-butyl-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-ium 6-oxide
CID 21130891
calcium;bis(2,6-ditert-butylphenolate);oxolane
CID 139089230
benzene;octakis(2,6-ditert-butylphenolate);tetrakis(uranium(2+))
CID 139040418
6,12-ditert-butyl-4,14-dimethyl-8,10-dioxa-9λ4-selenatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene
CID 139266105

Frequently Asked Questions

What is the IUPAC name of molybdenum;bis(2,4,6,8-tetratert-butylphenoxazin-10-ide-1,9-diolate)?
The IUPAC name of molybdenum;bis(2,4,6,8-tetratert-butylphenoxazin-10-ide-1,9-diolate) (CID 139142287) is molybdenum;bis(2,4,6,8-tetratert-butylphenoxazin-10-ide-1,9-diolate).
What is the SMILES notation for molybdenum;bis(2,4,6,8-tetratert-butylphenoxazin-10-ide-1,9-diolate)?
The canonical SMILES for molybdenum;bis(2,4,6,8-tetratert-butylphenoxazin-10-ide-1,9-diolate) is CC(C)(C)c1cc(C(C)(C)C)c2c(c1[O-])[N-]c1c([O-])c(C(C)(C)C)cc(C(C)(C)C)c1O2.CC(C)(C)c1cc(C(C)(C)C)c2c(c1[O-])[N-]c1c([O-])c(C(C)(C)C)cc(C(C)(C)C)c1O2.[Mo].
What is the InChIKey of molybdenum;bis(2,4,6,8-tetratert-butylphenoxazin-10-ide-1,9-diolate)?
The InChIKey is XUECDZNLICXCPE-UHFFFAOYSA-J. The full InChI is InChI=1S/2C28H40NO3.Mo/c2*1-25(2,3)15-13-17(27(7,8)9)23-19(21(15)30)29-20-22(31)16(26(4,5)6)14-18(24(20)32-23)28(10,11)12;/h2*13-14,30-31H,1-12H3;/q2*-1;/p-4.
What are the key properties of molybdenum;bis(2,4,6,8-tetratert-butylphenoxazin-10-ide-1,9-diolate)?
molybdenum;bis(2,4,6,8-tetratert-butylphenoxazin-10-ide-1,9-diolate) has a molecular weight of 969.17 g/mol, XLogP of 14.93, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for molybdenum;bis(2,4,6,8-tetratert-butylphenoxazin-10-ide-1,9-diolate) is sourced from PubChem (CID 139142287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).