2-(1-adamantyl)-6-(2-adamantyliminomethyl)-4-methylphenol;2-(1-adamantyl)-6-(cyclohexyliminomethyl)-4-methylphenol;heptakis(2-tert-butyl-4-methyl-6-(methyliminomethyl)phenol);2-tert-butyl-4-methyl-6-(2-methylpropyliminomethyl)phenol;decakis(dichlorozirconium)

C159H228Cl20N10O10Zr10 — CID 158096224

IUPAC2-(1-adamantyl)-6-(2-adamantyliminomethyl)-4-methylphenol;2-(1-adamantyl)-6-(cyclohexyliminomethyl)-4-methylphenol;heptakis(2-tert-butyl-4-methyl-6-(methyliminomethyl)phenol);2-tert-butyl-4-methyl-6-(2-methylpropyliminomethyl)phenol;decakis(dichlorozirconium)
SMILESC/N=C/c1cc(C)cc(C(C)(C)C)c1O.C/N=C/c1cc(C)cc(C(C)(C)C)c1O.C/N=C/c1cc(C)cc(C(C)(C)C)c1O.C/N=C/c1cc(C)cc(C(C)(C)C)c1O.C/N=C/c1cc(C)cc(C(C)(C)C)c1O.C/N=C/c1cc(C)cc(C(C)(C)C)c1O.C/N=C/c1cc(C)cc(C(C)(C)C)c1O.Cc1cc(/C=N/C2C3CC4CC(C3)CC2C4)c(O)c(C23CC4CC(CC(C4)C2)C3)c1.Cc1cc(/C=N/C2CCCCC2)c(O)c(C23CC4CC(CC(C4)C2)C3)c1.Cc1cc(/C=N/CC(C)C)c(O)c(C(C)(C)C)c1.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl
InChIInChI=1S/C28H37NO.C24H33NO.C16H25NO.7C13H19NO.20ClH.10Zr/c1-16-2-24(15-29-26-22-8-17-4-18(10-22)11-23(26)9-17)27(30)25(3-16)28-12-19-5-20(13-28)7-21(6-19)14-28;1-16-7-20(15-25-21-5-3-2-4-6-21)23(26)22(8-16)24-12-17-9-18(13-24)11-19(10-17)14-24;1-11(2)9-17-10-13-7-12(3)8-14(15(13)18)16(4,5)6;7*1-9-6-10(8-14-5)12(15)11(7-9)13(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2-3,15,17-23,26,30H,4-14H2,1H3;7-8,15,17-19,21,26H,2-6,9-14H2,1H3;7-8,10-11,18H,9H2,1-6H3;7*6-8,15H,1-5H3;20*1H;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;10*+2/p-20/b29-15+;25-15+;17-10+;7*14-8+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyLBQJSFRMEWUMPW-HRNCPGCUSA-A
MW4060.93 g/mol
LogP51.50
Rot. Bonds16

About 2-(1-adamantyl)-6-(2-adamantyliminomethyl)-4-methylphenol;2-(1-adamantyl)-6-(cyclohexyliminomethyl)-4-methylphenol;heptakis(2-tert-butyl-4-methyl-6-(methyliminomethyl)phenol);2-tert-butyl-4-methyl-6-(2-methylpropyliminomethyl)phenol;decakis(dichlorozirconium)

2-(1-adamantyl)-6-(2-adamantyliminomethyl)-4-methylphenol;2-(1-adamantyl)-6-(cyclohexyliminomethyl)-4-methylphenol;heptakis(2-tert-butyl-4-methyl-6-(methyliminomethyl)phenol);2-tert-butyl-4-methyl-6-(2-methylpropyliminomethyl)phenol;decakis(dichlorozirconium) (PubChem CID 158096224) has the molecular formula C159H228Cl20N10O10Zr10 and a molecular weight of 4060.93 g/mol. Its IUPAC name is 2-(1-adamantyl)-6-(2-adamantyliminomethyl)-4-methylphenol;2-(1-adamantyl)-6-(cyclohexyliminomethyl)-4-methylphenol;heptakis(2-tert-butyl-4-methyl-6-(methyliminomethyl)phenol);2-tert-butyl-4-methyl-6-(2-methylpropyliminomethyl)phenol;decakis(dichlorozirconium).

Molecular Properties

Compound Name2-(1-adamantyl)-6-(2-adamantyliminomethyl)-4-methylphenol;2-(1-adamantyl)-6-(cyclohexyliminomethyl)-4-methylphenol;heptakis(2-tert-butyl-4-methyl-6-(methyliminomethyl)phenol);2-tert-butyl-4-methyl-6-(2-methylpropyliminomethyl)phenol;decakis(dichlorozirconium)
PubChem CID158096224
Molecular FormulaC159H228Cl20N10O10Zr10
Molecular Weight4060.93 g/mol
Exact Mass4036.19
IUPAC Name2-(1-adamantyl)-6-(2-adamantyliminomethyl)-4-methylphenol;2-(1-adamantyl)-6-(cyclohexyliminomethyl)-4-methylphenol;heptakis(2-tert-butyl-4-methyl-6-(methyliminomethyl)phenol);2-tert-butyl-4-methyl-6-(2-methylpropyliminomethyl)phenol;decakis(dichlorozirconium)
SMILESC/N=C/c1cc(C)cc(C(C)(C)C)c1O.C/N=C/c1cc(C)cc(C(C)(C)C)c1O.C/N=C/c1cc(C)cc(C(C)(C)C)c1O.C/N=C/c1cc(C)cc(C(C)(C)C)c1O.C/N=C/c1cc(C)cc(C(C)(C)C)c1O.C/N=C/c1cc(C)cc(C(C)(C)C)c1O.C/N=C/c1cc(C)cc(C(C)(C)C)c1O.Cc1cc(/C=N/C2C3CC4CC(C3)CC2C4)c(O)c(C23CC4CC(CC(C4)C2)C3)c1.Cc1cc(/C=N/C2CCCCC2)c(O)c(C23CC4CC(CC(C4)C2)C3)c1.Cc1cc(/C=N/CC(C)C)c(O)c(C(C)(C)C)c1.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl
InChIInChI=1S/C28H37NO.C24H33NO.C16H25NO.7C13H19NO.20ClH.10Zr/c1-16-2-24(15-29-26-22-8-17-4-18(10-22)11-23(26)9-17)27(30)25(3-16)28-12-19-5-20(13-28)7-21(6-19)14-28;1-16-7-20(15-25-21-5-3-2-4-6-21)23(26)22(8-16)24-12-17-9-18(13-24)11-19(10-17)14-24;1-11(2)9-17-10-13-7-12(3)8-14(15(13)18)16(4,5)6;7*1-9-6-10(8-14-5)12(15)11(7-9)13(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2-3,15,17-23,26,30H,4-14H2,1H3;7-8,15,17-19,21,26H,2-6,9-14H2,1H3;7-8,10-11,18H,9H2,1-6H3;7*6-8,15H,1-5H3;20*1H;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;10*+2/p-20/b29-15+;25-15+;17-10+;7*14-8+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyLBQJSFRMEWUMPW-HRNCPGCUSA-A
XLogP51.50
TPSA325.90 Ų
H-Bond Donors10
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms209
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004060.93
LogP ≤ 551.50
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-(1-adamantyl)-6-(2-adamantyliminomethyl)-4-methylphenol;2-(1-adamantyl)-6-(cyclohexyliminomethyl)-4-methylphenol;heptakis(2-tert-butyl-4-methyl-6-(methyliminomethyl)phenol);2-tert-butyl-4-methyl-6-(2-methylpropyliminomethyl)phenol;decakis(dichlorozirconium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-6-(2-adamantyliminomethyl)-4-methylphenol;2-(1-adamantyl)-6-(cyclohexyliminomethyl)-4-methylphenol;heptakis(2-tert-butyl-4-methyl-6-(methyliminomethyl)phenol);2-tert-butyl-4-methyl-6-(2-methylpropyliminomethyl)phenol;decakis(dichlorozirconium)?
The IUPAC name of 2-(1-adamantyl)-6-(2-adamantyliminomethyl)-4-methylphenol;2-(1-adamantyl)-6-(cyclohexyliminomethyl)-4-methylphenol;heptakis(2-tert-butyl-4-methyl-6-(methyliminomethyl)phenol);2-tert-butyl-4-methyl-6-(2-methylpropyliminomethyl)phenol;decakis(dichlorozirconium) (CID 158096224) is 2-(1-adamantyl)-6-(2-adamantyliminomethyl)-4-methylphenol;2-(1-adamantyl)-6-(cyclohexyliminomethyl)-4-methylphenol;heptakis(2-tert-butyl-4-methyl-6-(methyliminomethyl)phenol);2-tert-butyl-4-methyl-6-(2-methylpropyliminomethyl)phenol;decakis(dichlorozirconium).
What is the SMILES notation for 2-(1-adamantyl)-6-(2-adamantyliminomethyl)-4-methylphenol;2-(1-adamantyl)-6-(cyclohexyliminomethyl)-4-methylphenol;heptakis(2-tert-butyl-4-methyl-6-(methyliminomethyl)phenol);2-tert-butyl-4-methyl-6-(2-methylpropyliminomethyl)phenol;decakis(dichlorozirconium)?
The canonical SMILES for 2-(1-adamantyl)-6-(2-adamantyliminomethyl)-4-methylphenol;2-(1-adamantyl)-6-(cyclohexyliminomethyl)-4-methylphenol;heptakis(2-tert-butyl-4-methyl-6-(methyliminomethyl)phenol);2-tert-butyl-4-methyl-6-(2-methylpropyliminomethyl)phenol;decakis(dichlorozirconium) is C/N=C/c1cc(C)cc(C(C)(C)C)c1O.C/N=C/c1cc(C)cc(C(C)(C)C)c1O.C/N=C/c1cc(C)cc(C(C)(C)C)c1O.C/N=C/c1cc(C)cc(C(C)(C)C)c1O.C/N=C/c1cc(C)cc(C(C)(C)C)c1O.C/N=C/c1cc(C)cc(C(C)(C)C)c1O.C/N=C/c1cc(C)cc(C(C)(C)C)c1O.Cc1cc(/C=N/C2C3CC4CC(C3)CC2C4)c(O)c(C23CC4CC(CC(C4)C2)C3)c1.Cc1cc(/C=N/C2CCCCC2)c(O)c(C23CC4CC(CC(C4)C2)C3)c1.Cc1cc(/C=N/CC(C)C)c(O)c(C(C)(C)C)c1.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.
What is the InChIKey of 2-(1-adamantyl)-6-(2-adamantyliminomethyl)-4-methylphenol;2-(1-adamantyl)-6-(cyclohexyliminomethyl)-4-methylphenol;heptakis(2-tert-butyl-4-methyl-6-(methyliminomethyl)phenol);2-tert-butyl-4-methyl-6-(2-methylpropyliminomethyl)phenol;decakis(dichlorozirconium)?
The InChIKey is LBQJSFRMEWUMPW-HRNCPGCUSA-A. The full InChI is InChI=1S/C28H37NO.C24H33NO.C16H25NO.7C13H19NO.20ClH.10Zr/c1-16-2-24(15-29-26-22-8-17-4-18(10-22)11-23(26)9-17)27(30)25(3-16)28-12-19-5-20(13-28)7-21(6-19)14-28;1-16-7-20(15-25-21-5-3-2-4-6-21)23(26)22(8-16)24-12-17-9-18(13-24)11-19(10-17)14-24;1-11(2)9-17-10-13-7-12(3)8-14(15(13)18)16(4,5)6;7*1-9-6-10(8-14-5)12(15)11(7-9)13(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2-3,15,17-23,26,30H,4-14H2,1H3;7-8,15,17-19,21,26H,2-6,9-14H2,1H3;7-8,10-11,18H,9H2,1-6H3;7*6-8,15H,1-5H3;20*1H;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;10*+2/p-20/b29-15+;25-15+;17-10+;7*14-8+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of 2-(1-adamantyl)-6-(2-adamantyliminomethyl)-4-methylphenol;2-(1-adamantyl)-6-(cyclohexyliminomethyl)-4-methylphenol;heptakis(2-tert-butyl-4-methyl-6-(methyliminomethyl)phenol);2-tert-butyl-4-methyl-6-(2-methylpropyliminomethyl)phenol;decakis(dichlorozirconium)?
2-(1-adamantyl)-6-(2-adamantyliminomethyl)-4-methylphenol;2-(1-adamantyl)-6-(cyclohexyliminomethyl)-4-methylphenol;heptakis(2-tert-butyl-4-methyl-6-(methyliminomethyl)phenol);2-tert-butyl-4-methyl-6-(2-methylpropyliminomethyl)phenol;decakis(dichlorozirconium) has a molecular weight of 4060.93 g/mol, XLogP of 51.50, 16 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-6-(2-adamantyliminomethyl)-4-methylphenol;2-(1-adamantyl)-6-(cyclohexyliminomethyl)-4-methylphenol;heptakis(2-tert-butyl-4-methyl-6-(methyliminomethyl)phenol);2-tert-butyl-4-methyl-6-(2-methylpropyliminomethyl)phenol;decakis(dichlorozirconium) is sourced from PubChem (CID 158096224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).