carbanide;(2,6-dimethylphenyl)-[(2-methylphenyl)-[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]methyl]azanide;hafnium(4+)

C33H32HfN2 — CID 58897720

IUPACcarbanide;(2,6-dimethylphenyl)-[(2-methylphenyl)-[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]methyl]azanide;hafnium(4+)
SMILESCc1ccccc1C([N-]c1c(C)cccc1C)c1cccc(-c2[c-]ccc3ccccc23)n1.[CH3-].[CH3-].[Hf+4]
InChIInChI=1S/C31H26N2.2CH3.Hf/c1-21-11-4-6-16-25(21)31(33-30-22(2)12-8-13-23(30)3)29-20-10-19-28(32-29)27-18-9-15-24-14-5-7-17-26(24)27;;;/h4-17,19-20,31H,1-3H3;2*1H3;/q-2;2*-1;+4
InChIKeyYXGWUBSGVGYMDD-UHFFFAOYSA-N
MW635.12 g/mol
LogP9.32
Rot. Bonds5

About carbanide;(2,6-dimethylphenyl)-[(2-methylphenyl)-[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]methyl]azanide;hafnium(4+)

carbanide;(2,6-dimethylphenyl)-[(2-methylphenyl)-[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]methyl]azanide;hafnium(4+) (PubChem CID 58897720) has the molecular formula C33H32HfN2 and a molecular weight of 635.12 g/mol. Its IUPAC name is carbanide;(2,6-dimethylphenyl)-[(2-methylphenyl)-[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]methyl]azanide;hafnium(4+).

Molecular Properties

Compound Namecarbanide;(2,6-dimethylphenyl)-[(2-methylphenyl)-[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]methyl]azanide;hafnium(4+)
PubChem CID58897720
Molecular FormulaC33H32HfN2
Molecular Weight635.12 g/mol
Exact Mass636.20
IUPAC Namecarbanide;(2,6-dimethylphenyl)-[(2-methylphenyl)-[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]methyl]azanide;hafnium(4+)
SMILESCc1ccccc1C([N-]c1c(C)cccc1C)c1cccc(-c2[c-]ccc3ccccc23)n1.[CH3-].[CH3-].[Hf+4]
InChIInChI=1S/C31H26N2.2CH3.Hf/c1-21-11-4-6-16-25(21)31(33-30-22(2)12-8-13-23(30)3)29-20-10-19-28(32-29)27-18-9-15-24-14-5-7-17-26(24)27;;;/h4-17,19-20,31H,1-3H3;2*1H3;/q-2;2*-1;+4
InChIKeyYXGWUBSGVGYMDD-UHFFFAOYSA-N
XLogP9.32
TPSA26.99 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.12
LogP ≤ 59.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

carbanide;hafnium;[(2-methylphenyl)-[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]methyl]-(2-methyl-6-propan-2-ylphenyl)azanide
CID 59830983
carbanide;bis((2,6-dimethylphenyl)-[(2-methylphenyl)-[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]methyl]azanide);(2,6-dimethylphenyl)-[(2-methylphenyl)-[6-(2-octan-2-ylnaphthalen-1-yl)-2-pyridinyl]methyl]azanide;ethene;tris(hafnium(4+));bis(oct-1-ene)
CID 159608799
carbanide;(2,6-dipropylphenyl)-[[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]azanide;hafnium
CID 58231876
carbanide;[2,6-di(propan-2-yl)phenyl]-[[1-methanidyl-6-(2H-naphthalen-2-id-1-yl)pyridin-1-ium-2-yl]-phenylmethyl]azanide;hafnium(4+)
CID 20792699
[anthracen-9-yl-(6-phenyl-2-pyridinyl)methyl]-(2,6-diethylphenyl)azanide;carbanide;(2,6-diethylphenyl)-[[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]azanide;octakis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]-phenylmethyl]azanide;[2,6-di(propan-2-yl)phenyl]-[[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]-phenylmethyl]azanide;[2,6-di(propan-2-yl)phenyl]-[phenyl-(6-phenyl-2-pyridinyl)methyl]azanide;hafnium
CID 157149875
[[6-(2,5-dihydronaphthalen-5-ylium-2-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]-[2,6-di(propan-2-yl)phenyl]azanide;bis(dimethylazanide);hafnium(4+);N-[(6-naphthalen-1-yl-2-pyridinyl)-phenanthren-9-ylmethyl]-2,6-di(propan-2-yl)aniline
CID 162282168
[anthracen-9-yl-(6-phenyl-2-pyridinyl)methyl]-(2,6-diethylphenyl)azanide;carbanide;(2,6-diethylphenyl)-[phenanthren-9-yl-(6-phenyl-2-pyridinyl)methyl]azanide;hexakis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]-phenylmethyl]azanide;[2,6-di(propan-2-yl)phenyl]-[[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]-naphthalen-1-ylmethyl]azanide;[2,6-di(propan-2-yl)phenyl]-[[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]-phenylmethyl]azanide;hafnium
CID 160843607
carbanide;bis(2,4-ditert-butyl-6-[(2-methylcyclohexyl)iminomethyl]phenol);[2,6-di(propan-2-yl)phenyl]-(2-methyl-3-methyliminobutan-2-yl)azanide;[2,6-di(propan-2-yl)phenyl]-[[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]azanide;bis(hafnium(4+));zirconium(2+)
CID 161002159
bis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[phenanthren-9-yl-(6-phenyl-2-pyridinyl)methyl]azanide;hafnium
CID 20637585
4-methyl-1-(2H-naphthalen-2-id-1-yl)-2H-naphthalen-2-ide;(yttrium)
CID 164804327
bis(2-(2H-naphthalen-2-id-1-yl)pyridine);bis(platinum(2+));bis(pyrido[2,3-b]indol-9-ide)
CID 176621902
iridium;2-(2H-naphthalen-2-id-1-yl)pyridine;pentane-2,4-dione
CID 164702305

Frequently Asked Questions

What is the IUPAC name of carbanide;(2,6-dimethylphenyl)-[(2-methylphenyl)-[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]methyl]azanide;hafnium(4+)?
The IUPAC name of carbanide;(2,6-dimethylphenyl)-[(2-methylphenyl)-[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]methyl]azanide;hafnium(4+) (CID 58897720) is carbanide;(2,6-dimethylphenyl)-[(2-methylphenyl)-[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]methyl]azanide;hafnium(4+).
What is the SMILES notation for carbanide;(2,6-dimethylphenyl)-[(2-methylphenyl)-[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]methyl]azanide;hafnium(4+)?
The canonical SMILES for carbanide;(2,6-dimethylphenyl)-[(2-methylphenyl)-[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]methyl]azanide;hafnium(4+) is Cc1ccccc1C([N-]c1c(C)cccc1C)c1cccc(-c2[c-]ccc3ccccc23)n1.[CH3-].[CH3-].[Hf+4].
What is the InChIKey of carbanide;(2,6-dimethylphenyl)-[(2-methylphenyl)-[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]methyl]azanide;hafnium(4+)?
The InChIKey is YXGWUBSGVGYMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N2.2CH3.Hf/c1-21-11-4-6-16-25(21)31(33-30-22(2)12-8-13-23(30)3)29-20-10-19-28(32-29)27-18-9-15-24-14-5-7-17-26(24)27;;;/h4-17,19-20,31H,1-3H3;2*1H3;/q-2;2*-1;+4.
What are the key properties of carbanide;(2,6-dimethylphenyl)-[(2-methylphenyl)-[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]methyl]azanide;hafnium(4+)?
carbanide;(2,6-dimethylphenyl)-[(2-methylphenyl)-[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]methyl]azanide;hafnium(4+) has a molecular weight of 635.12 g/mol, XLogP of 9.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;(2,6-dimethylphenyl)-[(2-methylphenyl)-[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]methyl]azanide;hafnium(4+) is sourced from PubChem (CID 58897720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).