2-[[1-[2-[[2-hydroxy-5-methyl-3-(2,4,6-trimethylphenyl)phenyl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4-methyl-6-(2,4,6-trimethylphenyl)phenol

C54H48N2O2 — CID 136845962

IUPAC2-[[1-[2-[[2-hydroxy-5-methyl-3-(2,4,6-trimethylphenyl)phenyl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4-methyl-6-(2,4,6-trimethylphenyl)phenol
SMILESCc1cc(C)c(-c2cc(C)cc(/C=N/c3ccc4ccccc4c3-c3c(/N=C/c4cc(C)cc(-c5c(C)cc(C)cc5C)c4O)ccc4ccccc34)c2O)c(C)c1
InChIInChI=1S/C54H48N2O2/c1-31-21-35(5)49(36(6)22-31)45-27-33(3)25-41(53(45)57)29-55-47-19-17-39-13-9-11-15-43(39)51(47)52-44-16-12-10-14-40(44)18-20-48(52)56-30-42-26-34(4)28-46(54(42)58)50-37(7)23-32(2)24-38(50)8/h9-30,57-58H,1-8H3/b55-29+,56-30+
InChIKeyMGKIPZJKCCCIPT-KVFIQZADSA-N
MW756.99 g/mol
LogP14.37
Rot. Bonds7

About 2-[[1-[2-[[2-hydroxy-5-methyl-3-(2,4,6-trimethylphenyl)phenyl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4-methyl-6-(2,4,6-trimethylphenyl)phenol

2-[[1-[2-[[2-hydroxy-5-methyl-3-(2,4,6-trimethylphenyl)phenyl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4-methyl-6-(2,4,6-trimethylphenyl)phenol (PubChem CID 136845962) has the molecular formula C54H48N2O2 and a molecular weight of 756.99 g/mol. Its IUPAC name is 2-[[1-[2-[[2-hydroxy-5-methyl-3-(2,4,6-trimethylphenyl)phenyl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4-methyl-6-(2,4,6-trimethylphenyl)phenol.

Molecular Properties

Compound Name2-[[1-[2-[[2-hydroxy-5-methyl-3-(2,4,6-trimethylphenyl)phenyl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4-methyl-6-(2,4,6-trimethylphenyl)phenol
PubChem CID136845962
Molecular FormulaC54H48N2O2
Molecular Weight756.99 g/mol
Exact Mass756.37
IUPAC Name2-[[1-[2-[[2-hydroxy-5-methyl-3-(2,4,6-trimethylphenyl)phenyl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4-methyl-6-(2,4,6-trimethylphenyl)phenol
SMILESCc1cc(C)c(-c2cc(C)cc(/C=N/c3ccc4ccccc4c3-c3c(/N=C/c4cc(C)cc(-c5c(C)cc(C)cc5C)c4O)ccc4ccccc34)c2O)c(C)c1
InChIInChI=1S/C54H48N2O2/c1-31-21-35(5)49(36(6)22-31)45-27-33(3)25-41(53(45)57)29-55-47-19-17-39-13-9-11-15-43(39)51(47)52-44-16-12-10-14-40(44)18-20-48(52)56-30-42-26-34(4)28-46(54(42)58)50-37(7)23-32(2)24-38(50)8/h9-30,57-58H,1-8H3/b55-29+,56-30+
InChIKeyMGKIPZJKCCCIPT-KVFIQZADSA-N
XLogP14.37
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.99
LogP ≤ 514.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[1-[2-[[2-hydroxy-5-methyl-3-(2,4,6-trimethylphenyl)phenyl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4-methyl-6-(2,4,6-trimethylphenyl)phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-[[2-hydroxy-5-methyl-3-(2,4,6-trimethylphenyl)phenyl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4-methyl-6-(2,4,6-trimethylphenyl)phenol?
The IUPAC name of 2-[[1-[2-[[2-hydroxy-5-methyl-3-(2,4,6-trimethylphenyl)phenyl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4-methyl-6-(2,4,6-trimethylphenyl)phenol (CID 136845962) is 2-[[1-[2-[[2-hydroxy-5-methyl-3-(2,4,6-trimethylphenyl)phenyl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4-methyl-6-(2,4,6-trimethylphenyl)phenol.
What is the SMILES notation for 2-[[1-[2-[[2-hydroxy-5-methyl-3-(2,4,6-trimethylphenyl)phenyl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4-methyl-6-(2,4,6-trimethylphenyl)phenol?
The canonical SMILES for 2-[[1-[2-[[2-hydroxy-5-methyl-3-(2,4,6-trimethylphenyl)phenyl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4-methyl-6-(2,4,6-trimethylphenyl)phenol is Cc1cc(C)c(-c2cc(C)cc(/C=N/c3ccc4ccccc4c3-c3c(/N=C/c4cc(C)cc(-c5c(C)cc(C)cc5C)c4O)ccc4ccccc34)c2O)c(C)c1.
What is the InChIKey of 2-[[1-[2-[[2-hydroxy-5-methyl-3-(2,4,6-trimethylphenyl)phenyl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4-methyl-6-(2,4,6-trimethylphenyl)phenol?
The InChIKey is MGKIPZJKCCCIPT-KVFIQZADSA-N. The full InChI is InChI=1S/C54H48N2O2/c1-31-21-35(5)49(36(6)22-31)45-27-33(3)25-41(53(45)57)29-55-47-19-17-39-13-9-11-15-43(39)51(47)52-44-16-12-10-14-40(44)18-20-48(52)56-30-42-26-34(4)28-46(54(42)58)50-37(7)23-32(2)24-38(50)8/h9-30,57-58H,1-8H3/b55-29+,56-30+.
What are the key properties of 2-[[1-[2-[[2-hydroxy-5-methyl-3-(2,4,6-trimethylphenyl)phenyl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4-methyl-6-(2,4,6-trimethylphenyl)phenol?
2-[[1-[2-[[2-hydroxy-5-methyl-3-(2,4,6-trimethylphenyl)phenyl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4-methyl-6-(2,4,6-trimethylphenyl)phenol has a molecular weight of 756.99 g/mol, XLogP of 14.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-[[2-hydroxy-5-methyl-3-(2,4,6-trimethylphenyl)phenyl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4-methyl-6-(2,4,6-trimethylphenyl)phenol is sourced from PubChem (CID 136845962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).