carbanide;1-N,2-N-dimethyl-1-N,2-N-diphenyl-1,2-dihydroacenaphthylene-1,2-diamine;nickel

C28H30N2Ni-2 — CID 59909192

IUPACcarbanide;1-N,2-N-dimethyl-1-N,2-N-diphenyl-1,2-dihydroacenaphthylene-1,2-diamine;nickel
SMILESCN(c1ccccc1)C1c2cccc3cccc(c23)C1N(C)c1ccccc1.[CH3-].[CH3-].[Ni]
InChIInChI=1S/C26H24N2.2CH3.Ni/c1-27(20-13-5-3-6-14-20)25-22-17-9-11-19-12-10-18-23(24(19)22)26(25)28(2)21-15-7-4-8-16-21;;;/h3-18,25-26H,1-2H3;2*1H3;/q;2*-1;
InChIKeyVHUCHNVCOQPUQB-UHFFFAOYSA-N
MW453.26 g/mol
LogP7.11
Rot. Bonds4

About carbanide;1-N,2-N-dimethyl-1-N,2-N-diphenyl-1,2-dihydroacenaphthylene-1,2-diamine;nickel

carbanide;1-N,2-N-dimethyl-1-N,2-N-diphenyl-1,2-dihydroacenaphthylene-1,2-diamine;nickel (PubChem CID 59909192) has the molecular formula C28H30N2Ni-2 and a molecular weight of 453.26 g/mol. Its IUPAC name is carbanide;1-N,2-N-dimethyl-1-N,2-N-diphenyl-1,2-dihydroacenaphthylene-1,2-diamine;nickel.

Molecular Properties

Compound Namecarbanide;1-N,2-N-dimethyl-1-N,2-N-diphenyl-1,2-dihydroacenaphthylene-1,2-diamine;nickel
PubChem CID59909192
Molecular FormulaC28H30N2Ni-2
Molecular Weight453.26 g/mol
Exact Mass452.18
IUPAC Namecarbanide;1-N,2-N-dimethyl-1-N,2-N-diphenyl-1,2-dihydroacenaphthylene-1,2-diamine;nickel
SMILESCN(c1ccccc1)C1c2cccc3cccc(c23)C1N(C)c1ccccc1.[CH3-].[CH3-].[Ni]
InChIInChI=1S/C26H24N2.2CH3.Ni/c1-27(20-13-5-3-6-14-20)25-22-17-9-11-19-12-10-18-23(24(19)22)26(25)28(2)21-15-7-4-8-16-21;;;/h3-18,25-26H,1-2H3;2*1H3;/q;2*-1;
InChIKeyVHUCHNVCOQPUQB-UHFFFAOYSA-N
XLogP7.11
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.26
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbanide;1-N,2-N-dimethyl-1-N,2-N-diphenyl-1,2-dihydroacenaphthylene-1,2-diamine;nickel?
The IUPAC name of carbanide;1-N,2-N-dimethyl-1-N,2-N-diphenyl-1,2-dihydroacenaphthylene-1,2-diamine;nickel (CID 59909192) is carbanide;1-N,2-N-dimethyl-1-N,2-N-diphenyl-1,2-dihydroacenaphthylene-1,2-diamine;nickel.
What is the SMILES notation for carbanide;1-N,2-N-dimethyl-1-N,2-N-diphenyl-1,2-dihydroacenaphthylene-1,2-diamine;nickel?
The canonical SMILES for carbanide;1-N,2-N-dimethyl-1-N,2-N-diphenyl-1,2-dihydroacenaphthylene-1,2-diamine;nickel is CN(c1ccccc1)C1c2cccc3cccc(c23)C1N(C)c1ccccc1.[CH3-].[CH3-].[Ni].
What is the InChIKey of carbanide;1-N,2-N-dimethyl-1-N,2-N-diphenyl-1,2-dihydroacenaphthylene-1,2-diamine;nickel?
The InChIKey is VHUCHNVCOQPUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2.2CH3.Ni/c1-27(20-13-5-3-6-14-20)25-22-17-9-11-19-12-10-18-23(24(19)22)26(25)28(2)21-15-7-4-8-16-21;;;/h3-18,25-26H,1-2H3;2*1H3;/q;2*-1;.
What are the key properties of carbanide;1-N,2-N-dimethyl-1-N,2-N-diphenyl-1,2-dihydroacenaphthylene-1,2-diamine;nickel?
carbanide;1-N,2-N-dimethyl-1-N,2-N-diphenyl-1,2-dihydroacenaphthylene-1,2-diamine;nickel has a molecular weight of 453.26 g/mol, XLogP of 7.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1-N,2-N-dimethyl-1-N,2-N-diphenyl-1,2-dihydroacenaphthylene-1,2-diamine;nickel is sourced from PubChem (CID 59909192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).