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)

C124H145Hf3N6+ — CID 159608799

IUPACcarbanide;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)
SMILESC=C.C=CCCCCCC.C=CCCCCCC.Cc1ccccc1C([N-]c1c(C)cccc1C)c1cccc(-c2[c-]ccc3ccccc23)n1.Cc1ccccc1C([N-]c1c(C)cccc1C)c1cccc(-c2[c-]ccc3ccccc23)n1.[CH2-]C(CCCCCC)c1ccc2ccccc2c1-c1cccc(C([N-]c2c(C)cccc2C)c2ccccc2C)n1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf+4].[Hf+4].[Hf+4]
InChIInChI=1S/C39H42N2.2C31H26N2.2C8H16.C2H4.5CH3.3Hf/c1-6-7-8-9-16-27(2)32-26-25-31-20-11-13-22-34(31)37(32)35-23-15-24-36(40-35)39(33-21-12-10-17-28(33)3)41-38-29(4)18-14-19-30(38)5;2*1-21-11-4-6-16-25(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;2*1-3-5-7-8-6-4-2;1-2;;;;;;;;/h10-15,17-27,39H,2,6-9,16H2,1,3-5H3;2*4-17,19-20,31H,1-3H3;2*3H,1,4-8H2,2H3;1-2H2;5*1H3;;;/q3*-2;;;;5*-1;3*+4
InChIKeyXXBJRCXOVBKGAU-UHFFFAOYSA-N
MW2255.04 g/mol
LogP37.69
Rot. Bonds31

About 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)

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) (PubChem CID 159608799) has the molecular formula C124H145Hf3N6+ and a molecular weight of 2255.04 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Namecarbanide;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)
PubChem CID159608799
Molecular FormulaC124H145Hf3N6+
Molecular Weight2255.04 g/mol
Exact Mass2257.99
IUPAC Namecarbanide;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)
SMILESC=C.C=CCCCCCC.C=CCCCCCC.Cc1ccccc1C([N-]c1c(C)cccc1C)c1cccc(-c2[c-]ccc3ccccc23)n1.Cc1ccccc1C([N-]c1c(C)cccc1C)c1cccc(-c2[c-]ccc3ccccc23)n1.[CH2-]C(CCCCCC)c1ccc2ccccc2c1-c1cccc(C([N-]c2c(C)cccc2C)c2ccccc2C)n1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf+4].[Hf+4].[Hf+4]
InChIInChI=1S/C39H42N2.2C31H26N2.2C8H16.C2H4.5CH3.3Hf/c1-6-7-8-9-16-27(2)32-26-25-31-20-11-13-22-34(31)37(32)35-23-15-24-36(40-35)39(33-21-12-10-17-28(33)3)41-38-29(4)18-14-19-30(38)5;2*1-21-11-4-6-16-25(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;2*1-3-5-7-8-6-4-2;1-2;;;;;;;;/h10-15,17-27,39H,2,6-9,16H2,1,3-5H3;2*4-17,19-20,31H,1-3H3;2*3H,1,4-8H2,2H3;1-2H2;5*1H3;;;/q3*-2;;;;5*-1;3*+4
InChIKeyXXBJRCXOVBKGAU-UHFFFAOYSA-N
XLogP37.69
TPSA80.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds31
Heavy Atoms133
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002255.04
LogP ≤ 537.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 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) with MolForge

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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;hafnium;[(2-methylphenyl)-[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]methyl]-(2-methyl-6-propan-2-ylphenyl)azanide
CID 59830983
1-[(3S)-non-1-en-3-yl]naphthalene
CID 102346574
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)-[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
tetradec-13-en-7-ylbenzene
CID 140694824
N-[2-(2-methylphenyl)dodecylidene]hydroxylamine
CID 173391188
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
dec-1-en-5-ylbenzene;dec-9-en-5-ylbenzene
CID 158724514
1-tetracosan-9-ylnaphthalene
CID 175897855
1-hexadecan-6-ylnaphthalene
CID 14029925
1-decan-5-ylnaphthalene
CID 14029915

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is C=C.C=CCCCCCC.C=CCCCCCC.Cc1ccccc1C([N-]c1c(C)cccc1C)c1cccc(-c2[c-]ccc3ccccc23)n1.Cc1ccccc1C([N-]c1c(C)cccc1C)c1cccc(-c2[c-]ccc3ccccc23)n1.[CH2-]C(CCCCCC)c1ccc2ccccc2c1-c1cccc(C([N-]c2c(C)cccc2C)c2ccccc2C)n1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf+4].[Hf+4].[Hf+4].
What is the InChIKey of 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)?
The InChIKey is XXBJRCXOVBKGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H42N2.2C31H26N2.2C8H16.C2H4.5CH3.3Hf/c1-6-7-8-9-16-27(2)32-26-25-31-20-11-13-22-34(31)37(32)35-23-15-24-36(40-35)39(33-21-12-10-17-28(33)3)41-38-29(4)18-14-19-30(38)5;2*1-21-11-4-6-16-25(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;2*1-3-5-7-8-6-4-2;1-2;;;;;;;;/h10-15,17-27,39H,2,6-9,16H2,1,3-5H3;2*4-17,19-20,31H,1-3H3;2*3H,1,4-8H2,2H3;1-2H2;5*1H3;;;/q3*-2;;;;5*-1;3*+4.
What are the key properties of 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)?
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) has a molecular weight of 2255.04 g/mol, XLogP of 37.69, 31 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 159608799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).