carbanide; [2,6-di(propan-2-yl)phenyl]-[[6-[[2,6-di(propan-2-yl)phenyl]azanidylmethyl]pyridin-2-yl]methyl]azanide; oct-4-yne; tantalum

Systemtic Name: carbanide; [2,6-di(propan-2-yl)phenyl]-[[6-[[2,6-di(propan-2-yl)phenyl]azanidylmethyl]pyridin-2-yl]methyl]azanide; oct-4-yne; tantalum Openeye Name: carbanide; (2,6-diisopropylphenyl)-[[6-[(2,6-diisopropylphenyl)azanidylmethyl]-2-pyridyl]methyl]azanide; oct-4-yne; tantalum CAS Name: carbanide; [2,6-di(propan-2-yl)phenyl]-[[6-[[2,6-di(propan-2-yl)phenyl]azanidylmethyl]-2-pyridinyl]methyl]azanide; 4-octyne; tantalum IUPAC Name: carbanide; [2,6-di(propan-2-yl)phenyl]-[[6-[[2,6-di(propan-2-yl)phenyl]azanidylmethyl]pyridin-2-yl]methyl]azanide; oct-4-yne; tantalum Traditional Name: carbanide; (2,6-diisopropylphenyl)-[[6-[(2,6-diisopropylphenyl)azanidylmethyl]-2-pyridyl]methyl]azanide; oct-4-yne; tantalum Formula: C40H58N3Ta-3 MolecularWeight: 761.85652

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].CCCC#CCCC.CC(C)C1=C(C(=CC=C1)C(C)C)[N-]CC2=NC(=CC=C2)C[N-]C3=C(C=CC=C3C(C)C)C(C)C.[Ta]

Isomeric SMILES

[CH3-].CCCC#CCCC.CC(C)C1=C(C(=CC=C1)C(C)C)[N-]CC2=NC(=CC=C2)C[N-]C3=C(C=CC=C3C(C)C)C(C)C.[Ta]

InChI

InChI=1S/C31H41N3.C8H14.CH3.Ta/c1-20(2)26-14-10-15-27(21(3)4)30(26)32-18-24-12-9-13-25(34-24)19-33-31-28(22(5)6)16-11-17-29(31)23(7)8;1-3-5-7-8-6-4-2;;/h9-17,20-23H,18-19H2,1-8H3;3-6H2,1-2H3;1H3;/q-2;;-1;