tris(dimethylazanide);hafnium;methanidylbenzene;bis((6-naphthalen-1-yl-2-pyridinyl)methyl-(2,4,6-trimethylphenyl)azanide);[(6-naphthalen-1-yl-2-pyridinyl)-(2-phenylphenyl)methyl]-(4-propan-2-ylphenyl)azanide;[phenyl-(6-phenyl-2-pyridinyl)methyl]-(4-propan-2-ylphenyl)azanide;[phenyl-(6-phenyl-2-pyridinyl)methyl]-(2,4,6-trimethylphenyl)azanide

C231H229Hf5N13-20 — CID 159897571

IUPACtris(dimethylazanide);hafnium;methanidylbenzene;bis((6-naphthalen-1-yl-2-pyridinyl)methyl-(2,4,6-trimethylphenyl)azanide);[(6-naphthalen-1-yl-2-pyridinyl)-(2-phenylphenyl)methyl]-(4-propan-2-ylphenyl)azanide;[phenyl-(6-phenyl-2-pyridinyl)methyl]-(4-propan-2-ylphenyl)azanide;[phenyl-(6-phenyl-2-pyridinyl)methyl]-(2,4,6-trimethylphenyl)azanide
SMILESCC(C)c1ccc([N-]C(c2cccc(-c3cccc4ccccc34)n2)c2ccccc2-c2ccccc2)cc1.CC(C)c1ccc([N-]C(c2ccccc2)c2cccc(-c3ccccc3)n2)cc1.C[N-]C.C[N-]C.C[N-]C.Cc1cc(C)c([N-]C(c2ccccc2)c2cccc(-c3ccccc3)n2)c(C)c1.Cc1cc(C)c([N-]Cc2cccc(-c3cccc4ccccc34)n2)c(C)c1.Cc1cc(C)c([N-]Cc2cccc(-c3cccc4ccccc34)n2)c(C)c1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Hf].[Hf].[Hf].[Hf].[Hf]
InChIInChI=1S/C37H31N2.2C27H25N2.2C25H23N2.12C7H7.3C2H6N.5Hf/c1-26(2)27-22-24-30(25-23-27)38-37(34-18-9-8-17-32(34)28-12-4-3-5-13-28)36-21-11-20-35(39-36)33-19-10-15-29-14-6-7-16-31(29)33;1-19-17-20(2)26(21(3)18-19)29-27(23-13-8-5-9-14-23)25-16-10-15-24(28-25)22-11-6-4-7-12-22;1-20(2)21-16-18-24(19-17-21)28-27(23-12-7-4-8-13-23)26-15-9-14-25(29-26)22-10-5-3-6-11-22;2*1-17-14-18(2)25(19(3)15-17)26-16-21-10-7-13-24(27-21)23-12-6-9-20-8-4-5-11-22(20)23;12*1-7-5-3-2-4-6-7;3*1-3-2;;;;;/h3-26,37H,1-2H3;4-18,27H,1-3H3;3-20,27H,1-2H3;2*4-15H,16H2,1-3H3;12*2-6H,1H2;3*1-2H3;;;;;/q20*-1;;;;;
InChIKeyLDMCTMJQYPFYMI-UHFFFAOYSA-N
MW4079.91 g/mol
LogP63.96
Rot. Bonds26

About tris(dimethylazanide);hafnium;methanidylbenzene;bis((6-naphthalen-1-yl-2-pyridinyl)methyl-(2,4,6-trimethylphenyl)azanide);[(6-naphthalen-1-yl-2-pyridinyl)-(2-phenylphenyl)methyl]-(4-propan-2-ylphenyl)azanide;[phenyl-(6-phenyl-2-pyridinyl)methyl]-(4-propan-2-ylphenyl)azanide;[phenyl-(6-phenyl-2-pyridinyl)methyl]-(2,4,6-trimethylphenyl)azanide

tris(dimethylazanide);hafnium;methanidylbenzene;bis((6-naphthalen-1-yl-2-pyridinyl)methyl-(2,4,6-trimethylphenyl)azanide);[(6-naphthalen-1-yl-2-pyridinyl)-(2-phenylphenyl)methyl]-(4-propan-2-ylphenyl)azanide;[phenyl-(6-phenyl-2-pyridinyl)methyl]-(4-propan-2-ylphenyl)azanide;[phenyl-(6-phenyl-2-pyridinyl)methyl]-(2,4,6-trimethylphenyl)azanide (PubChem CID 159897571) has the molecular formula C231H229Hf5N13-20 and a molecular weight of 4079.91 g/mol. Its IUPAC name is tris(dimethylazanide);hafnium;methanidylbenzene;bis((6-naphthalen-1-yl-2-pyridinyl)methyl-(2,4,6-trimethylphenyl)azanide);[(6-naphthalen-1-yl-2-pyridinyl)-(2-phenylphenyl)methyl]-(4-propan-2-ylphenyl)azanide;[phenyl-(6-phenyl-2-pyridinyl)methyl]-(4-propan-2-ylphenyl)azanide;[phenyl-(6-phenyl-2-pyridinyl)methyl]-(2,4,6-trimethylphenyl)azanide.

Molecular Properties

Compound Nametris(dimethylazanide);hafnium;methanidylbenzene;bis((6-naphthalen-1-yl-2-pyridinyl)methyl-(2,4,6-trimethylphenyl)azanide);[(6-naphthalen-1-yl-2-pyridinyl)-(2-phenylphenyl)methyl]-(4-propan-2-ylphenyl)azanide;[phenyl-(6-phenyl-2-pyridinyl)methyl]-(4-propan-2-ylphenyl)azanide;[phenyl-(6-phenyl-2-pyridinyl)methyl]-(2,4,6-trimethylphenyl)azanide
PubChem CID159897571
Molecular FormulaC231H229Hf5N13-20
Molecular Weight4079.91 g/mol
Exact Mass4084.58
IUPAC Nametris(dimethylazanide);hafnium;methanidylbenzene;bis((6-naphthalen-1-yl-2-pyridinyl)methyl-(2,4,6-trimethylphenyl)azanide);[(6-naphthalen-1-yl-2-pyridinyl)-(2-phenylphenyl)methyl]-(4-propan-2-ylphenyl)azanide;[phenyl-(6-phenyl-2-pyridinyl)methyl]-(4-propan-2-ylphenyl)azanide;[phenyl-(6-phenyl-2-pyridinyl)methyl]-(2,4,6-trimethylphenyl)azanide
SMILESCC(C)c1ccc([N-]C(c2cccc(-c3cccc4ccccc34)n2)c2ccccc2-c2ccccc2)cc1.CC(C)c1ccc([N-]C(c2ccccc2)c2cccc(-c3ccccc3)n2)cc1.C[N-]C.C[N-]C.C[N-]C.Cc1cc(C)c([N-]C(c2ccccc2)c2cccc(-c3ccccc3)n2)c(C)c1.Cc1cc(C)c([N-]Cc2cccc(-c3cccc4ccccc34)n2)c(C)c1.Cc1cc(C)c([N-]Cc2cccc(-c3cccc4ccccc34)n2)c(C)c1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Hf].[Hf].[Hf].[Hf].[Hf]
InChIInChI=1S/C37H31N2.2C27H25N2.2C25H23N2.12C7H7.3C2H6N.5Hf/c1-26(2)27-22-24-30(25-23-27)38-37(34-18-9-8-17-32(34)28-12-4-3-5-13-28)36-21-11-20-35(39-36)33-19-10-15-29-14-6-7-16-31(29)33;1-19-17-20(2)26(21(3)18-19)29-27(23-13-8-5-9-14-23)25-16-10-15-24(28-25)22-11-6-4-7-12-22;1-20(2)21-16-18-24(19-17-21)28-27(23-12-7-4-8-13-23)26-15-9-14-25(29-26)22-10-5-3-6-11-22;2*1-17-14-18(2)25(19(3)15-17)26-16-21-10-7-13-24(27-21)23-12-6-9-20-8-4-5-11-22(20)23;12*1-7-5-3-2-4-6-7;3*1-3-2;;;;;/h3-26,37H,1-2H3;4-18,27H,1-3H3;3-20,27H,1-2H3;2*4-15H,16H2,1-3H3;12*2-6H,1H2;3*1-2H3;;;;;/q20*-1;;;;;
InChIKeyLDMCTMJQYPFYMI-UHFFFAOYSA-N
XLogP63.96
TPSA177.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds26
Heavy Atoms249
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004079.91
LogP ≤ 563.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tris(dimethylazanide);hafnium;methanidylbenzene;bis((6-naphthalen-1-yl-2-pyridinyl)methyl-(2,4,6-trimethylphenyl)azanide);[(6-naphthalen-1-yl-2-pyridinyl)-(2-phenylphenyl)methyl]-(4-propan-2-ylphenyl)azanide;[phenyl-(6-phenyl-2-pyridinyl)methyl]-(4-propan-2-ylphenyl)azanide;[phenyl-(6-phenyl-2-pyridinyl)methyl]-(2,4,6-trimethylphenyl)azanide with MolForge

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Related Compounds

hafnium(4+);methanidylbenzene;(2-methyl-4-propan-2-ylphenyl)-[(2-phenylphenyl)-(6-phenyl-2-pyridinyl)methyl]azanide
CID 58662933
N-methyl-N-[(2-phenylphenyl)-(6-phenyl-2-pyridinyl)methyl]-4-propan-2-ylaniline;N,2,4,6-tetramethyl-N-[(6-phenyl-2-pyridinyl)methyl]aniline
CID 91123223
carbanide;bis(dichlorotitanium);diiodotitanium;methanidylbenzene;bis([phenyl(pyridin-2-yl)methyl]-(2,4,6-trimethylphenyl)azanide);tetrakis(pyridin-2-ylmethyl-(2,4,6-trimethylphenyl)azanide);tris(titanium(3+))
CID 158934106
N-[anthracen-9-yl-(6-phenyl-2-pyridinyl)methyl]-4-propan-2-ylaniline;N-[anthracen-9-yl-(6-phenyl-2-pyridinyl)methyl]-2,4,6-trimethylaniline;N-[(2-phenylphenyl)-(6-phenyl-2-pyridinyl)methyl]-3,5-bis(trifluoromethyl)aniline;2,4,6-trimethyl-N-[1-(6-naphthalen-1-yl-2-pyridinyl)-2-phenylethyl]aniline
CID 158209735
carbanide;cyclopentyl-[[1-[6-[[2,6-di(propan-2-yl)phenyl]azanidyl-(2-propan-2-ylphenyl)methyl]-2-pyridinyl]naphthalen-2-yl]methyl]azanide;[2,6-di(propan-2-yl)phenyl]-[[6-[2-[(2-methylphenyl)azanidylmethyl]naphthalen-1-yl]-2-pyridinyl]methyl]azanide;[2,6-di(propan-2-yl)phenyl]-[[6-(3-phenylazanidyl-2,3-dihydro-1H-inden-4-yl)-2-pyridinyl]methyl]azanide;tris(hafnium(4+))
CID 162215113
[[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
4-methoxy-2-methyl-N-[phenyl-(6-phenyl-2-pyridinyl)methyl]aniline;N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]naphthalen-1-amine;N-[(6-naphthalen-1-yl-2-pyridinyl)-(2-phenylphenyl)methyl]-3,5-bis(trifluoromethyl)aniline;2,4,6-trimethyl-N-[2-phenyl-1-(6-phenyl-2-pyridinyl)ethyl]aniline
CID 159882880
4-[[3-[[2,6-di(propan-2-yl)anilino]-(6-naphthalen-1-yl-2-pyridinyl)methyl]-5-methylphenyl]methyl]-N-[(2-methylphenyl)-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline
CID 142140323
2,6-diethyl-N-[[6-(4-fluorophenyl)-2-pyridinyl]-phenanthren-9-ylmethyl]aniline;N-[[6-(2,6-difluorophenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[[6-(3,5-dimethylphenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline;2-methyl-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-6-propan-2-ylaniline
CID 158623688
2-butan-2-yl-6-methyl-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]aniline;N-[[6-(2,4-difluorophenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[[6-(2,6-difluorophenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[[6-(4-methoxyphenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[[6-(2-methylphenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline
CID 158538371
N-[anthracen-9-yl-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-diethylaniline;2,6-diethyl-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]aniline;2,6-diethyl-N-[phenanthren-9-yl-(6-phenyl-2-pyridinyl)methyl]aniline;N-[[6-(4-methoxyphenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[[6-(2-methylphenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline
CID 159661438
N-[[6-(2-methylphenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline
CID 20637527

Frequently Asked Questions

What is the IUPAC name of tris(dimethylazanide);hafnium;methanidylbenzene;bis((6-naphthalen-1-yl-2-pyridinyl)methyl-(2,4,6-trimethylphenyl)azanide);[(6-naphthalen-1-yl-2-pyridinyl)-(2-phenylphenyl)methyl]-(4-propan-2-ylphenyl)azanide;[phenyl-(6-phenyl-2-pyridinyl)methyl]-(4-propan-2-ylphenyl)azanide;[phenyl-(6-phenyl-2-pyridinyl)methyl]-(2,4,6-trimethylphenyl)azanide?
The IUPAC name of tris(dimethylazanide);hafnium;methanidylbenzene;bis((6-naphthalen-1-yl-2-pyridinyl)methyl-(2,4,6-trimethylphenyl)azanide);[(6-naphthalen-1-yl-2-pyridinyl)-(2-phenylphenyl)methyl]-(4-propan-2-ylphenyl)azanide;[phenyl-(6-phenyl-2-pyridinyl)methyl]-(4-propan-2-ylphenyl)azanide;[phenyl-(6-phenyl-2-pyridinyl)methyl]-(2,4,6-trimethylphenyl)azanide (CID 159897571) is tris(dimethylazanide);hafnium;methanidylbenzene;bis((6-naphthalen-1-yl-2-pyridinyl)methyl-(2,4,6-trimethylphenyl)azanide);[(6-naphthalen-1-yl-2-pyridinyl)-(2-phenylphenyl)methyl]-(4-propan-2-ylphenyl)azanide;[phenyl-(6-phenyl-2-pyridinyl)methyl]-(4-propan-2-ylphenyl)azanide;[phenyl-(6-phenyl-2-pyridinyl)methyl]-(2,4,6-trimethylphenyl)azanide.
What is the SMILES notation for tris(dimethylazanide);hafnium;methanidylbenzene;bis((6-naphthalen-1-yl-2-pyridinyl)methyl-(2,4,6-trimethylphenyl)azanide);[(6-naphthalen-1-yl-2-pyridinyl)-(2-phenylphenyl)methyl]-(4-propan-2-ylphenyl)azanide;[phenyl-(6-phenyl-2-pyridinyl)methyl]-(4-propan-2-ylphenyl)azanide;[phenyl-(6-phenyl-2-pyridinyl)methyl]-(2,4,6-trimethylphenyl)azanide?
The canonical SMILES for tris(dimethylazanide);hafnium;methanidylbenzene;bis((6-naphthalen-1-yl-2-pyridinyl)methyl-(2,4,6-trimethylphenyl)azanide);[(6-naphthalen-1-yl-2-pyridinyl)-(2-phenylphenyl)methyl]-(4-propan-2-ylphenyl)azanide;[phenyl-(6-phenyl-2-pyridinyl)methyl]-(4-propan-2-ylphenyl)azanide;[phenyl-(6-phenyl-2-pyridinyl)methyl]-(2,4,6-trimethylphenyl)azanide is CC(C)c1ccc([N-]C(c2cccc(-c3cccc4ccccc34)n2)c2ccccc2-c2ccccc2)cc1.CC(C)c1ccc([N-]C(c2ccccc2)c2cccc(-c3ccccc3)n2)cc1.C[N-]C.C[N-]C.C[N-]C.Cc1cc(C)c([N-]C(c2ccccc2)c2cccc(-c3ccccc3)n2)c(C)c1.Cc1cc(C)c([N-]Cc2cccc(-c3cccc4ccccc34)n2)c(C)c1.Cc1cc(C)c([N-]Cc2cccc(-c3cccc4ccccc34)n2)c(C)c1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Hf].[Hf].[Hf].[Hf].[Hf].
What is the InChIKey of tris(dimethylazanide);hafnium;methanidylbenzene;bis((6-naphthalen-1-yl-2-pyridinyl)methyl-(2,4,6-trimethylphenyl)azanide);[(6-naphthalen-1-yl-2-pyridinyl)-(2-phenylphenyl)methyl]-(4-propan-2-ylphenyl)azanide;[phenyl-(6-phenyl-2-pyridinyl)methyl]-(4-propan-2-ylphenyl)azanide;[phenyl-(6-phenyl-2-pyridinyl)methyl]-(2,4,6-trimethylphenyl)azanide?
The InChIKey is LDMCTMJQYPFYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H31N2.2C27H25N2.2C25H23N2.12C7H7.3C2H6N.5Hf/c1-26(2)27-22-24-30(25-23-27)38-37(34-18-9-8-17-32(34)28-12-4-3-5-13-28)36-21-11-20-35(39-36)33-19-10-15-29-14-6-7-16-31(29)33;1-19-17-20(2)26(21(3)18-19)29-27(23-13-8-5-9-14-23)25-16-10-15-24(28-25)22-11-6-4-7-12-22;1-20(2)21-16-18-24(19-17-21)28-27(23-12-7-4-8-13-23)26-15-9-14-25(29-26)22-10-5-3-6-11-22;2*1-17-14-18(2)25(19(3)15-17)26-16-21-10-7-13-24(27-21)23-12-6-9-20-8-4-5-11-22(20)23;12*1-7-5-3-2-4-6-7;3*1-3-2;;;;;/h3-26,37H,1-2H3;4-18,27H,1-3H3;3-20,27H,1-2H3;2*4-15H,16H2,1-3H3;12*2-6H,1H2;3*1-2H3;;;;;/q20*-1;;;;;.
What are the key properties of tris(dimethylazanide);hafnium;methanidylbenzene;bis((6-naphthalen-1-yl-2-pyridinyl)methyl-(2,4,6-trimethylphenyl)azanide);[(6-naphthalen-1-yl-2-pyridinyl)-(2-phenylphenyl)methyl]-(4-propan-2-ylphenyl)azanide;[phenyl-(6-phenyl-2-pyridinyl)methyl]-(4-propan-2-ylphenyl)azanide;[phenyl-(6-phenyl-2-pyridinyl)methyl]-(2,4,6-trimethylphenyl)azanide?
tris(dimethylazanide);hafnium;methanidylbenzene;bis((6-naphthalen-1-yl-2-pyridinyl)methyl-(2,4,6-trimethylphenyl)azanide);[(6-naphthalen-1-yl-2-pyridinyl)-(2-phenylphenyl)methyl]-(4-propan-2-ylphenyl)azanide;[phenyl-(6-phenyl-2-pyridinyl)methyl]-(4-propan-2-ylphenyl)azanide;[phenyl-(6-phenyl-2-pyridinyl)methyl]-(2,4,6-trimethylphenyl)azanide has a molecular weight of 4079.91 g/mol, XLogP of 63.96, 26 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tris(dimethylazanide);hafnium;methanidylbenzene;bis((6-naphthalen-1-yl-2-pyridinyl)methyl-(2,4,6-trimethylphenyl)azanide);[(6-naphthalen-1-yl-2-pyridinyl)-(2-phenylphenyl)methyl]-(4-propan-2-ylphenyl)azanide;[phenyl-(6-phenyl-2-pyridinyl)methyl]-(4-propan-2-ylphenyl)azanide;[phenyl-(6-phenyl-2-pyridinyl)methyl]-(2,4,6-trimethylphenyl)azanide is sourced from PubChem (CID 159897571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).