5-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-[[2-[[4-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-hydroxyphenyl]methylideneamino]-3-pyridinyl]iminomethyl]phenol

C59H49N5O2 — CID 163521830

IUPAC5-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-[[2-[[4-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-hydroxyphenyl]methylideneamino]-3-pyridinyl]iminomethyl]phenol
SMILESCc1cc(N(c2ccccc2)c2ccccc2)cc(C)c1-c1ccc(C=Nc2ncccc2/N=C/c2ccc(-c3c(C)cc(N(c4ccccc4)c4ccccc4)cc3C)cc2O)c(O)c1
InChIInChI=1S/C59H49N5O2/c1-40-32-52(63(48-18-9-5-10-19-48)49-20-11-6-12-21-49)33-41(2)57(40)44-27-29-46(55(65)36-44)38-61-54-26-17-31-60-59(54)62-39-47-30-28-45(37-56(47)66)58-42(3)34-53(35-43(58)4)64(50-22-13-7-14-23-50)51-24-15-8-16-25-51/h5-39,65-66H,1-4H3/b61-38+,62-39?
InChIKeyPYZMIWPGEJYNGE-AQSDPKILSA-N
MW860.07 g/mol
LogP15.50
Rot. Bonds12

About 5-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-[[2-[[4-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-hydroxyphenyl]methylideneamino]-3-pyridinyl]iminomethyl]phenol

5-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-[[2-[[4-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-hydroxyphenyl]methylideneamino]-3-pyridinyl]iminomethyl]phenol (PubChem CID 163521830) has the molecular formula C59H49N5O2 and a molecular weight of 860.07 g/mol. Its IUPAC name is 5-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-[[2-[[4-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-hydroxyphenyl]methylideneamino]-3-pyridinyl]iminomethyl]phenol.

Molecular Properties

Compound Name5-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-[[2-[[4-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-hydroxyphenyl]methylideneamino]-3-pyridinyl]iminomethyl]phenol
PubChem CID163521830
Molecular FormulaC59H49N5O2
Molecular Weight860.07 g/mol
Exact Mass859.39
IUPAC Name5-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-[[2-[[4-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-hydroxyphenyl]methylideneamino]-3-pyridinyl]iminomethyl]phenol
SMILESCc1cc(N(c2ccccc2)c2ccccc2)cc(C)c1-c1ccc(C=Nc2ncccc2/N=C/c2ccc(-c3c(C)cc(N(c4ccccc4)c4ccccc4)cc3C)cc2O)c(O)c1
InChIInChI=1S/C59H49N5O2/c1-40-32-52(63(48-18-9-5-10-19-48)49-20-11-6-12-21-49)33-41(2)57(40)44-27-29-46(55(65)36-44)38-61-54-26-17-31-60-59(54)62-39-47-30-28-45(37-56(47)66)58-42(3)34-53(35-43(58)4)64(50-22-13-7-14-23-50)51-24-15-8-16-25-51/h5-39,65-66H,1-4H3/b61-38+,62-39?
InChIKeyPYZMIWPGEJYNGE-AQSDPKILSA-N
XLogP15.50
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500860.07
LogP ≤ 515.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-[[2-[[4-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-hydroxyphenyl]methylideneamino]-3-pyridinyl]iminomethyl]phenol with MolForge

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Related Compounds

5-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-[[3-[[4-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-hydroxyphenyl]methylideneamino]naphthalen-2-yl]iminomethyl]phenol;platinum
CID 162770022
sodium;bis(5-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-[[2-[[4-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-hydroxyphenyl]methylideneamino]phenyl]iminomethyl]phenol);platinum;potassiopotassium;tetrachloroplatinum;acetate
CID 163793053
5-[2,6-dimethyl-4-(10-phenylphenazin-5-yl)phenyl]-2-[[2-[[4-[2,6-dimethyl-4-(10-phenylphenazin-5-yl)phenyl]-2-hydroxyphenyl]methylideneamino]phenyl]iminomethyl]phenol
CID 162770013
5-[2,6-dimethyl-4-(10-phenylphenazin-5-yl)phenyl]-2-[[2-[[4-[2,6-dimethyl-4-(10-phenylphenazin-5-yl)phenyl]-2-hydroxyphenyl]methylideneamino]phenyl]iminomethyl]phenol;platinum
CID 162770012
5-decoxy-2-[[2-[(E)-(4-decoxy-2-hydroxyphenyl)methylideneamino]-3-pyridinyl]iminomethyl]phenol
CID 177472092
5-(2,6-dimethyl-4-phenoxazin-10-ylphenyl)-2-[[2-[[4-(2,6-dimethyl-4-phenoxazin-10-ylphenyl)-2-hydroxyphenyl]methylideneamino]phenyl]iminomethyl]phenol
CID 162769999
5-[2,6-ditert-butyl-4-(N-phenylanilino)phenyl]-2-[[3-[[4-[2,6-ditert-butyl-4-(N-phenylanilino)phenyl]-2-hydroxyphenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol
CID 146268051
5-[2,6-diphenyl-4-(N-phenylanilino)phenyl]-2-[[3-[[4-[2,6-diphenyl-4-(N-phenylanilino)phenyl]-2-hydroxyphenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol
CID 146268095
2-[(E)-[2-[(E)-(3-hydroxy-2-pyridinyl)iminomethyl]phenyl]methylideneamino]pyridin-3-ol
CID 135912097
4-[(E)-(diphenylhydrazinylidene)methyl]-N-[4-[4-(N-[4-[(E)-(diphenylhydrazinylidene)methyl]-3-methylphenyl]-4-methylanilino)phenyl]phenyl]-3-methyl-N-(4-methylphenyl)aniline
CID 172986340
5-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-[[3-[[4-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-5-fluoro-2-hydroxyphenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]-4-fluorophenol
CID 146268070
4-[(E)-(diphenylhydrazinylidene)methyl]-3-methyl-N,N-diphenylaniline
CID 15044303

Frequently Asked Questions

What is the IUPAC name of 5-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-[[2-[[4-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-hydroxyphenyl]methylideneamino]-3-pyridinyl]iminomethyl]phenol?
The IUPAC name of 5-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-[[2-[[4-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-hydroxyphenyl]methylideneamino]-3-pyridinyl]iminomethyl]phenol (CID 163521830) is 5-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-[[2-[[4-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-hydroxyphenyl]methylideneamino]-3-pyridinyl]iminomethyl]phenol.
What is the SMILES notation for 5-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-[[2-[[4-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-hydroxyphenyl]methylideneamino]-3-pyridinyl]iminomethyl]phenol?
The canonical SMILES for 5-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-[[2-[[4-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-hydroxyphenyl]methylideneamino]-3-pyridinyl]iminomethyl]phenol is Cc1cc(N(c2ccccc2)c2ccccc2)cc(C)c1-c1ccc(C=Nc2ncccc2/N=C/c2ccc(-c3c(C)cc(N(c4ccccc4)c4ccccc4)cc3C)cc2O)c(O)c1.
What is the InChIKey of 5-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-[[2-[[4-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-hydroxyphenyl]methylideneamino]-3-pyridinyl]iminomethyl]phenol?
The InChIKey is PYZMIWPGEJYNGE-AQSDPKILSA-N. The full InChI is InChI=1S/C59H49N5O2/c1-40-32-52(63(48-18-9-5-10-19-48)49-20-11-6-12-21-49)33-41(2)57(40)44-27-29-46(55(65)36-44)38-61-54-26-17-31-60-59(54)62-39-47-30-28-45(37-56(47)66)58-42(3)34-53(35-43(58)4)64(50-22-13-7-14-23-50)51-24-15-8-16-25-51/h5-39,65-66H,1-4H3/b61-38+,62-39?.
What are the key properties of 5-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-[[2-[[4-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-hydroxyphenyl]methylideneamino]-3-pyridinyl]iminomethyl]phenol?
5-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-[[2-[[4-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-hydroxyphenyl]methylideneamino]-3-pyridinyl]iminomethyl]phenol has a molecular weight of 860.07 g/mol, XLogP of 15.50, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-[[2-[[4-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-hydroxyphenyl]methylideneamino]-3-pyridinyl]iminomethyl]phenol is sourced from PubChem (CID 163521830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).