carbanide;hafnium;[(2-methylphenyl)-[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]methyl]-(2-methyl-6-propan-2-ylphenyl)azanide

C34H33HfN2-3 — CID 59830983

IUPACcarbanide;hafnium;[(2-methylphenyl)-[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]methyl]-(2-methyl-6-propan-2-ylphenyl)azanide
SMILESCc1ccccc1C([N-]c1c(C)cccc1C(C)C)c1cccc(-c2[c-]ccc3ccccc23)n1.[CH3-].[Hf]
InChIInChI=1S/C33H30N2.CH3.Hf/c1-22(2)26-18-9-13-24(4)32(26)35-33(27-16-7-5-12-23(27)3)31-21-11-20-30(34-31)29-19-10-15-25-14-6-8-17-28(25)29;;/h5-18,20-22,33H,1-4H3;1H3;/q-2;-1;
InChIKeyMLSIUHIGJBJWED-UHFFFAOYSA-N
MW648.14 g/mol
LogP9.68
Rot. Bonds6

About carbanide;hafnium;[(2-methylphenyl)-[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]methyl]-(2-methyl-6-propan-2-ylphenyl)azanide

carbanide;hafnium;[(2-methylphenyl)-[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]methyl]-(2-methyl-6-propan-2-ylphenyl)azanide (PubChem CID 59830983) has the molecular formula C34H33HfN2-3 and a molecular weight of 648.14 g/mol. Its IUPAC name is carbanide;hafnium;[(2-methylphenyl)-[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]methyl]-(2-methyl-6-propan-2-ylphenyl)azanide.

Molecular Properties

Compound Namecarbanide;hafnium;[(2-methylphenyl)-[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]methyl]-(2-methyl-6-propan-2-ylphenyl)azanide
PubChem CID59830983
Molecular FormulaC34H33HfN2-3
Molecular Weight648.14 g/mol
Exact Mass649.21
IUPAC Namecarbanide;hafnium;[(2-methylphenyl)-[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]methyl]-(2-methyl-6-propan-2-ylphenyl)azanide
SMILESCc1ccccc1C([N-]c1c(C)cccc1C(C)C)c1cccc(-c2[c-]ccc3ccccc23)n1.[CH3-].[Hf]
InChIInChI=1S/C33H30N2.CH3.Hf/c1-22(2)26-18-9-13-24(4)32(26)35-33(27-16-7-5-12-23(27)3)31-21-11-20-30(34-31)29-19-10-15-25-14-6-8-17-28(25)29;;/h5-18,20-22,33H,1-4H3;1H3;/q-2;-1;
InChIKeyMLSIUHIGJBJWED-UHFFFAOYSA-N
XLogP9.68
TPSA26.99 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.14
LogP ≤ 59.68
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;(2,6-dimethylphenyl)-[(2-methylphenyl)-[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]methyl]azanide;hafnium(4+)
CID 58897720
carbanide;(2,6-dipropylphenyl)-[[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]azanide;hafnium
CID 58231876
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-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
bis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[phenanthren-9-yl-(6-phenyl-2-pyridinyl)methyl]azanide;hafnium
CID 20637585
[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
[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
[[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
carbanide;[2,6-di(propan-2-yl)phenyl]-[[6-(4-methanidyl-6,8-dimethyl-3,4-dihydro-2H-chromen-5-yl)-2-pyridinyl]-phenylmethyl]azanide;hafnium(4+)
CID 59479614
carbanide;[[6-[2-[3-(3,5-ditert-butylphenyl)-2-hydroxyphenyl]phenyl]-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-[2,6-di(propan-2-yl)phenyl]azanide;hafnium
CID 162463132
[(4-anthracen-9-yl-1,3-thiazol-2-yl)-phenylmethyl]-[2,6-di(propan-2-yl)phenyl]azanide;carbanide;hafnium
CID 140503217

Frequently Asked Questions

What is the IUPAC name of carbanide;hafnium;[(2-methylphenyl)-[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]methyl]-(2-methyl-6-propan-2-ylphenyl)azanide?
The IUPAC name of carbanide;hafnium;[(2-methylphenyl)-[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]methyl]-(2-methyl-6-propan-2-ylphenyl)azanide (CID 59830983) is carbanide;hafnium;[(2-methylphenyl)-[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]methyl]-(2-methyl-6-propan-2-ylphenyl)azanide.
What is the SMILES notation for carbanide;hafnium;[(2-methylphenyl)-[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]methyl]-(2-methyl-6-propan-2-ylphenyl)azanide?
The canonical SMILES for carbanide;hafnium;[(2-methylphenyl)-[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]methyl]-(2-methyl-6-propan-2-ylphenyl)azanide is Cc1ccccc1C([N-]c1c(C)cccc1C(C)C)c1cccc(-c2[c-]ccc3ccccc23)n1.[CH3-].[Hf].
What is the InChIKey of carbanide;hafnium;[(2-methylphenyl)-[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]methyl]-(2-methyl-6-propan-2-ylphenyl)azanide?
The InChIKey is MLSIUHIGJBJWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N2.CH3.Hf/c1-22(2)26-18-9-13-24(4)32(26)35-33(27-16-7-5-12-23(27)3)31-21-11-20-30(34-31)29-19-10-15-25-14-6-8-17-28(25)29;;/h5-18,20-22,33H,1-4H3;1H3;/q-2;-1;.
What are the key properties of carbanide;hafnium;[(2-methylphenyl)-[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]methyl]-(2-methyl-6-propan-2-ylphenyl)azanide?
carbanide;hafnium;[(2-methylphenyl)-[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]methyl]-(2-methyl-6-propan-2-ylphenyl)azanide has a molecular weight of 648.14 g/mol, XLogP of 9.68, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;hafnium;[(2-methylphenyl)-[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]methyl]-(2-methyl-6-propan-2-ylphenyl)azanide is sourced from PubChem (CID 59830983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).