bis([2,6-di(propan-2-yl)phenyl]-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]azanide);molybdenum

C62H78Mo2N4-2 — CID 139115698

IUPACbis([2,6-di(propan-2-yl)phenyl]-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]azanide);molybdenum
SMILESCC(C)c1cccc(C(C)C)c1/N=C(/[N-]c1c(C(C)C)cccc1C(C)C)c1ccccc1.CC(C)c1cccc(C(C)C)c1/N=C(/[N-]c1c(C(C)C)cccc1C(C)C)c1ccccc1.[Mo].[Mo]
InChIInChI=1S/2C31H39N2.2Mo/c2*1-20(2)25-16-12-17-26(21(3)4)29(25)32-31(24-14-10-9-11-15-24)33-30-27(22(5)6)18-13-19-28(30)23(7)8;;/h2*9-23H,1-8H3;;/q2*-1;;
InChIKeyMTJLYFYNDXYZEE-UHFFFAOYSA-N
MW1071.21 g/mol
LogP19.92
Rot. Bonds14

About bis([2,6-di(propan-2-yl)phenyl]-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]azanide);molybdenum

bis([2,6-di(propan-2-yl)phenyl]-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]azanide);molybdenum (PubChem CID 139115698) has the molecular formula C62H78Mo2N4-2 and a molecular weight of 1071.21 g/mol. Its IUPAC name is bis([2,6-di(propan-2-yl)phenyl]-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]azanide);molybdenum.

Molecular Properties

Compound Namebis([2,6-di(propan-2-yl)phenyl]-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]azanide);molybdenum
PubChem CID139115698
Molecular FormulaC62H78Mo2N4-2
Molecular Weight1071.21 g/mol
Exact Mass1074.43
IUPAC Namebis([2,6-di(propan-2-yl)phenyl]-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]azanide);molybdenum
SMILESCC(C)c1cccc(C(C)C)c1/N=C(/[N-]c1c(C(C)C)cccc1C(C)C)c1ccccc1.CC(C)c1cccc(C(C)C)c1/N=C(/[N-]c1c(C(C)C)cccc1C(C)C)c1ccccc1.[Mo].[Mo]
InChIInChI=1S/2C31H39N2.2Mo/c2*1-20(2)25-16-12-17-26(21(3)4)29(25)32-31(24-14-10-9-11-15-24)33-30-27(22(5)6)18-13-19-28(30)23(7)8;;/h2*9-23H,1-8H3;;/q2*-1;;
InChIKeyMTJLYFYNDXYZEE-UHFFFAOYSA-N
XLogP19.92
TPSA52.92 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001071.21
LogP ≤ 519.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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CID 23523221
[2,6-di(propan-2-yl)phenyl]-[N'-[2,6-di(propan-2-yl)phenyl]-N,N-di(propan-2-yl)carbamimidoyl]azanide
CID 102382050
tetramagnesium;tetrakis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);toluene;tetraiodide
CID 139088211
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CID 90084912
3-[2,6-di(propan-2-yl)phenyl]imino-2-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-1-phenylbutan-1-one
CID 139257943
N-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]benzamide
CID 136845607
2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;nickel;[(E)-prop-1-enyl]benzene
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1-(3-bromophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine
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Frequently Asked Questions

What is the IUPAC name of bis([2,6-di(propan-2-yl)phenyl]-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]azanide);molybdenum?
The IUPAC name of bis([2,6-di(propan-2-yl)phenyl]-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]azanide);molybdenum (CID 139115698) is bis([2,6-di(propan-2-yl)phenyl]-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]azanide);molybdenum.
What is the SMILES notation for bis([2,6-di(propan-2-yl)phenyl]-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]azanide);molybdenum?
The canonical SMILES for bis([2,6-di(propan-2-yl)phenyl]-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]azanide);molybdenum is CC(C)c1cccc(C(C)C)c1/N=C(/[N-]c1c(C(C)C)cccc1C(C)C)c1ccccc1.CC(C)c1cccc(C(C)C)c1/N=C(/[N-]c1c(C(C)C)cccc1C(C)C)c1ccccc1.[Mo].[Mo].
What is the InChIKey of bis([2,6-di(propan-2-yl)phenyl]-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]azanide);molybdenum?
The InChIKey is MTJLYFYNDXYZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H39N2.2Mo/c2*1-20(2)25-16-12-17-26(21(3)4)29(25)32-31(24-14-10-9-11-15-24)33-30-27(22(5)6)18-13-19-28(30)23(7)8;;/h2*9-23H,1-8H3;;/q2*-1;;.
What are the key properties of bis([2,6-di(propan-2-yl)phenyl]-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]azanide);molybdenum?
bis([2,6-di(propan-2-yl)phenyl]-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]azanide);molybdenum has a molecular weight of 1071.21 g/mol, XLogP of 19.92, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis([2,6-di(propan-2-yl)phenyl]-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]azanide);molybdenum is sourced from PubChem (CID 139115698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).