carbanide;[2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]azanidylpropyl]azanide;zirconium(4+)

C29H46N2Zr — CID 10864172

IUPACcarbanide;[2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]azanidylpropyl]azanide;zirconium(4+)
SMILESCC(C)c1cccc(C(C)C)c1[N-]CCC[N-]c1c(C(C)C)cccc1C(C)C.[CH3-].[CH3-].[Zr+4]
InChIInChI=1S/C27H40N2.2CH3.Zr/c1-18(2)22-12-9-13-23(19(3)4)26(22)28-16-11-17-29-27-24(20(5)6)14-10-15-25(27)21(7)8;;;/h9-10,12-15,18-21H,11,16-17H2,1-8H3;2*1H3;/q-2;2*-1;+4
InChIKeyHQDPKHYKOUQTQX-UHFFFAOYSA-N
MW513.93 g/mol
LogP10.18
Rot. Bonds10

About carbanide;[2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]azanidylpropyl]azanide;zirconium(4+)

carbanide;[2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]azanidylpropyl]azanide;zirconium(4+) (PubChem CID 10864172) has the molecular formula C29H46N2Zr and a molecular weight of 513.93 g/mol. Its IUPAC name is carbanide;[2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]azanidylpropyl]azanide;zirconium(4+).

Molecular Properties

Compound Namecarbanide;[2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]azanidylpropyl]azanide;zirconium(4+)
PubChem CID10864172
Molecular FormulaC29H46N2Zr
Molecular Weight513.93 g/mol
Exact Mass512.27
IUPAC Namecarbanide;[2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]azanidylpropyl]azanide;zirconium(4+)
SMILESCC(C)c1cccc(C(C)C)c1[N-]CCC[N-]c1c(C(C)C)cccc1C(C)C.[CH3-].[CH3-].[Zr+4]
InChIInChI=1S/C27H40N2.2CH3.Zr/c1-18(2)22-12-9-13-23(19(3)4)26(22)28-16-11-17-29-27-24(20(5)6)14-10-15-25(27)21(7)8;;;/h9-10,12-15,18-21H,11,16-17H2,1-8H3;2*1H3;/q-2;2*-1;+4
InChIKeyHQDPKHYKOUQTQX-UHFFFAOYSA-N
XLogP10.18
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.93
LogP ≤ 510.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[2,6-di(propan-2-yl)phenyl]-trimethylsilylazanide;tin(2+);chloride
CID 122387275
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CID 5249761
[2,6-di(propan-2-yl)phenyl]-[3-[2-(2-hydroxyphenyl)-4-methylphenoxy]propyl]azanide;methanidylbenzene;zirconium(3+)
CID 153466703
bis([2,6-di(propan-2-yl)phenyl]-(4-hydroxypentan-2-yl)azanide);nickel(2+)
CID 5246282
[2,6-di(propan-2-yl)phenyl]-[2-[2-(2-hydroxy-3-phenylphenyl)ethylamino]ethyl]azanide;methanidylbenzene;zirconium(4+)
CID 153466829
[2,6-di(propan-2-yl)phenyl]iminotantalum
CID 10864957
ethene;methane;2-methyl-1,3-di(propan-2-yl)benzene
CID 142526423
aluminum;bis([2,6-di(propan-2-yl)phenyl]-(4-hydroxypentan-2-yl)azanide);ethane
CID 5249770
[2,6-di(propan-2-yl)phenyl]-(pyrazin-2-ylmethyl)azanide;methanidylbenzene;zirconium(4+)
CID 164823239
1,2-di(propan-2-yl)benzene;dihydrate
CID 70397314
CID 136741886
CID 136741886
tetrakis([2,6-di(propan-2-yl)phenyl]azanide);ytterbium
CID 5249219

Frequently Asked Questions

What is the IUPAC name of carbanide;[2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]azanidylpropyl]azanide;zirconium(4+)?
The IUPAC name of carbanide;[2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]azanidylpropyl]azanide;zirconium(4+) (CID 10864172) is carbanide;[2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]azanidylpropyl]azanide;zirconium(4+).
What is the SMILES notation for carbanide;[2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]azanidylpropyl]azanide;zirconium(4+)?
The canonical SMILES for carbanide;[2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]azanidylpropyl]azanide;zirconium(4+) is CC(C)c1cccc(C(C)C)c1[N-]CCC[N-]c1c(C(C)C)cccc1C(C)C.[CH3-].[CH3-].[Zr+4].
What is the InChIKey of carbanide;[2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]azanidylpropyl]azanide;zirconium(4+)?
The InChIKey is HQDPKHYKOUQTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N2.2CH3.Zr/c1-18(2)22-12-9-13-23(19(3)4)26(22)28-16-11-17-29-27-24(20(5)6)14-10-15-25(27)21(7)8;;;/h9-10,12-15,18-21H,11,16-17H2,1-8H3;2*1H3;/q-2;2*-1;+4.
What are the key properties of carbanide;[2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]azanidylpropyl]azanide;zirconium(4+)?
carbanide;[2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]azanidylpropyl]azanide;zirconium(4+) has a molecular weight of 513.93 g/mol, XLogP of 10.18, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;[2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]azanidylpropyl]azanide;zirconium(4+) is sourced from PubChem (CID 10864172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).