2-[[6-[(2-hydroxyphenyl)methylideneamino]-2,7-dimethylacridin-3-yl]iminomethyl]phenol

C29H23N3O2 — CID 136862105

IUPAC2-[[6-[(2-hydroxyphenyl)methylideneamino]-2,7-dimethylacridin-3-yl]iminomethyl]phenol
SMILESCc1cc2cc3cc(C)c(/N=C/c4ccccc4O)cc3nc2cc1/N=C/c1ccccc1O
InChIInChI=1S/C29H23N3O2/c1-18-11-22-13-23-12-19(2)25(31-17-21-8-4-6-10-29(21)34)15-27(23)32-26(22)14-24(18)30-16-20-7-3-5-9-28(20)33/h3-17,33-34H,1-2H3/b30-16+,31-17+
InChIKeyKPOJCATUXVJDDO-RVSCTIAXSA-N
MW445.52 g/mol
LogP6.92
Rot. Bonds4

About 2-[[6-[(2-hydroxyphenyl)methylideneamino]-2,7-dimethylacridin-3-yl]iminomethyl]phenol

2-[[6-[(2-hydroxyphenyl)methylideneamino]-2,7-dimethylacridin-3-yl]iminomethyl]phenol (PubChem CID 136862105) has the molecular formula C29H23N3O2 and a molecular weight of 445.52 g/mol. Its IUPAC name is 2-[[6-[(2-hydroxyphenyl)methylideneamino]-2,7-dimethylacridin-3-yl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[6-[(2-hydroxyphenyl)methylideneamino]-2,7-dimethylacridin-3-yl]iminomethyl]phenol
PubChem CID136862105
Molecular FormulaC29H23N3O2
Molecular Weight445.52 g/mol
Exact Mass445.18
IUPAC Name2-[[6-[(2-hydroxyphenyl)methylideneamino]-2,7-dimethylacridin-3-yl]iminomethyl]phenol
SMILESCc1cc2cc3cc(C)c(/N=C/c4ccccc4O)cc3nc2cc1/N=C/c1ccccc1O
InChIInChI=1S/C29H23N3O2/c1-18-11-22-13-23-12-19(2)25(31-17-21-8-4-6-10-29(21)34)15-27(23)32-26(22)14-24(18)30-16-20-7-3-5-9-28(20)33/h3-17,33-34H,1-2H3/b30-16+,31-17+
InChIKeyKPOJCATUXVJDDO-RVSCTIAXSA-N
XLogP6.92
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.52
LogP ≤ 56.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-[(2-hydroxyphenyl)methylideneamino]-5-methylphenol
CID 135689629
2-[(4-iodo-2-methylphenyl)iminomethyl]phenol
CID 630747
2-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
CID 135713338
copper 2-[(2-hydroxyphenyl)iminomethyl]phenol
CID 135534570
2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;vanadium;hydrate
CID 171376264
chromium;bis(2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol);hydrate
CID 139236258
zinc 2-[(2-hydroxyphenyl)iminomethyl]phenol
CID 135534569
2-[(2-methylphenyl)methylideneamino]phenol
CID 11009223
2-[(2-fluoro-5-methylphenyl)iminomethyl]phenol
CID 4857118
2-[(3,5-dimethylphenyl)iminomethyl]phenol
CID 4108135
2-[(2-hydroxyphenyl)methylideneamino]-3-methylphenol
CID 584429
2-[[2-(1-methylbenzimidazol-2-yl)phenyl]iminomethyl]phenol
CID 139199114

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(2-hydroxyphenyl)methylideneamino]-2,7-dimethylacridin-3-yl]iminomethyl]phenol?
The IUPAC name of 2-[[6-[(2-hydroxyphenyl)methylideneamino]-2,7-dimethylacridin-3-yl]iminomethyl]phenol (CID 136862105) is 2-[[6-[(2-hydroxyphenyl)methylideneamino]-2,7-dimethylacridin-3-yl]iminomethyl]phenol.
What is the SMILES notation for 2-[[6-[(2-hydroxyphenyl)methylideneamino]-2,7-dimethylacridin-3-yl]iminomethyl]phenol?
The canonical SMILES for 2-[[6-[(2-hydroxyphenyl)methylideneamino]-2,7-dimethylacridin-3-yl]iminomethyl]phenol is Cc1cc2cc3cc(C)c(/N=C/c4ccccc4O)cc3nc2cc1/N=C/c1ccccc1O.
What is the InChIKey of 2-[[6-[(2-hydroxyphenyl)methylideneamino]-2,7-dimethylacridin-3-yl]iminomethyl]phenol?
The InChIKey is KPOJCATUXVJDDO-RVSCTIAXSA-N. The full InChI is InChI=1S/C29H23N3O2/c1-18-11-22-13-23-12-19(2)25(31-17-21-8-4-6-10-29(21)34)15-27(23)32-26(22)14-24(18)30-16-20-7-3-5-9-28(20)33/h3-17,33-34H,1-2H3/b30-16+,31-17+.
What are the key properties of 2-[[6-[(2-hydroxyphenyl)methylideneamino]-2,7-dimethylacridin-3-yl]iminomethyl]phenol?
2-[[6-[(2-hydroxyphenyl)methylideneamino]-2,7-dimethylacridin-3-yl]iminomethyl]phenol has a molecular weight of 445.52 g/mol, XLogP of 6.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(2-hydroxyphenyl)methylideneamino]-2,7-dimethylacridin-3-yl]iminomethyl]phenol is sourced from PubChem (CID 136862105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).