[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-[5-[[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]azanidyl]pentyl]azanide;hafnium;methanidylbenzene

C61H68HfN8-4 — CID 155617082

IUPAC[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-[5-[[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]azanidyl]pentyl]azanide;hafnium;methanidylbenzene
SMILESCc1cc(C)c(-c2nc([N-]CCCCC[N-]c3nc(-c4c(C)cc(C)cc4C)nc(-c4c(C)cc(C)cc4C)n3)nc(-c3c(C)cc(C)cc3C)n2)c(C)c1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Hf]
InChIInChI=1S/C47H54N8.2C7H7.Hf/c1-26-18-30(5)38(31(6)19-26)42-50-43(39-32(7)20-27(2)21-33(39)8)53-46(52-42)48-16-14-13-15-17-49-47-54-44(40-34(9)22-28(3)23-35(40)10)51-45(55-47)41-36(11)24-29(4)25-37(41)12;2*1-7-5-3-2-4-6-7;/h18-25H,13-17H2,1-12H3;2*2-6H,1H2;/q-2;2*-1;
InChIKeyISGIEQUCAQRLRN-UHFFFAOYSA-N
MW1091.76 g/mol
LogP16.04
Rot. Bonds12

About [4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-[5-[[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]azanidyl]pentyl]azanide;hafnium;methanidylbenzene

[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-[5-[[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]azanidyl]pentyl]azanide;hafnium;methanidylbenzene (PubChem CID 155617082) has the molecular formula C61H68HfN8-4 and a molecular weight of 1091.76 g/mol. Its IUPAC name is [4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-[5-[[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]azanidyl]pentyl]azanide;hafnium;methanidylbenzene.

Molecular Properties

Compound Name[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-[5-[[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]azanidyl]pentyl]azanide;hafnium;methanidylbenzene
PubChem CID155617082
Molecular FormulaC61H68HfN8-4
Molecular Weight1091.76 g/mol
Exact Mass1092.51
IUPAC Name[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-[5-[[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]azanidyl]pentyl]azanide;hafnium;methanidylbenzene
SMILESCc1cc(C)c(-c2nc([N-]CCCCC[N-]c3nc(-c4c(C)cc(C)cc4C)nc(-c4c(C)cc(C)cc4C)n3)nc(-c3c(C)cc(C)cc3C)n2)c(C)c1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Hf]
InChIInChI=1S/C47H54N8.2C7H7.Hf/c1-26-18-30(5)38(31(6)19-26)42-50-43(39-32(7)20-27(2)21-33(39)8)53-46(52-42)48-16-14-13-15-17-49-47-54-44(40-34(9)22-28(3)23-35(40)10)51-45(55-47)41-36(11)24-29(4)25-37(41)12;2*1-7-5-3-2-4-6-7;/h18-25H,13-17H2,1-12H3;2*2-6H,1H2;/q-2;2*-1;
InChIKeyISGIEQUCAQRLRN-UHFFFAOYSA-N
XLogP16.04
TPSA105.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001091.76
LogP ≤ 516.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-[5-[[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]azanidyl]pentyl]azanide;hafnium;methanidylbenzene with MolForge

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Related Compounds

bis(benzyl-[6-(2,4,6-trimethylphenyl)pyrazin-2-yl]azanide);methanidylbenzene;zirconium(2+)
CID 155617079
2,4-bis(4-methylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine
CID 58250693
benzyl-[4-(2,4,6-trimethylphenyl)-1,3-benzothiazol-2-yl]azanide;hafnium(4+);methanidylbenzene
CID 164848435
CID 11037808
CID 11037808
1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene
CID 135033708
bis(dibutylazanide);methanidylbenzene;titanium(4+)
CID 18315006
hafnium;methanidylbenzene
CID 57417385
2-[6-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]pyren-1-yl]-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine
CID 58454357
(2,6-dimethylphenyl)-[4-(2,4,6-trimethylphenyl)-1,3-benzothiazol-2-yl]azanide;hafnium(4+);methanidylbenzene
CID 164848455
2-(4-butyl-2,6-dimethylphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 58371157
bis(bis[2-(2,3,4,5,6-pentamethylphenyl)azanidylethyl]azanide);hafnium;methanidylbenzene;zirconium
CID 159913285
6-ethyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 62202121

Frequently Asked Questions

What is the IUPAC name of [4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-[5-[[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]azanidyl]pentyl]azanide;hafnium;methanidylbenzene?
The IUPAC name of [4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-[5-[[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]azanidyl]pentyl]azanide;hafnium;methanidylbenzene (CID 155617082) is [4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-[5-[[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]azanidyl]pentyl]azanide;hafnium;methanidylbenzene.
What is the SMILES notation for [4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-[5-[[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]azanidyl]pentyl]azanide;hafnium;methanidylbenzene?
The canonical SMILES for [4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-[5-[[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]azanidyl]pentyl]azanide;hafnium;methanidylbenzene is Cc1cc(C)c(-c2nc([N-]CCCCC[N-]c3nc(-c4c(C)cc(C)cc4C)nc(-c4c(C)cc(C)cc4C)n3)nc(-c3c(C)cc(C)cc3C)n2)c(C)c1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Hf].
What is the InChIKey of [4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-[5-[[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]azanidyl]pentyl]azanide;hafnium;methanidylbenzene?
The InChIKey is ISGIEQUCAQRLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H54N8.2C7H7.Hf/c1-26-18-30(5)38(31(6)19-26)42-50-43(39-32(7)20-27(2)21-33(39)8)53-46(52-42)48-16-14-13-15-17-49-47-54-44(40-34(9)22-28(3)23-35(40)10)51-45(55-47)41-36(11)24-29(4)25-37(41)12;2*1-7-5-3-2-4-6-7;/h18-25H,13-17H2,1-12H3;2*2-6H,1H2;/q-2;2*-1;.
What are the key properties of [4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-[5-[[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]azanidyl]pentyl]azanide;hafnium;methanidylbenzene?
[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-[5-[[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]azanidyl]pentyl]azanide;hafnium;methanidylbenzene has a molecular weight of 1091.76 g/mol, XLogP of 16.04, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-[5-[[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]azanidyl]pentyl]azanide;hafnium;methanidylbenzene is sourced from PubChem (CID 155617082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).