2-[[4-[(E)-2-anthracen-9-ylethenyl]phenyl]iminomethyl]-5-(diethylamino)phenol

C33H30N2O — CID 137082909

IUPAC2-[[4-[(E)-2-anthracen-9-ylethenyl]phenyl]iminomethyl]-5-(diethylamino)phenol
SMILESCCN(CC)c1ccc(/C=N/c2ccc(/C=C/c3c4ccccc4cc4ccccc34)cc2)c(O)c1
InChIInChI=1S/C33H30N2O/c1-3-35(4-2)29-19-16-27(33(36)22-29)23-34-28-17-13-24(14-18-28)15-20-32-30-11-7-5-9-25(30)21-26-10-6-8-12-31(26)32/h5-23,36H,3-4H2,1-2H3/b20-15+,34-23+
InChIKeyBPLHWLYWESZOOH-UBRLNVJXSA-N
MW470.62 g/mol
LogP8.47
Rot. Bonds7

About 2-[[4-[(E)-2-anthracen-9-ylethenyl]phenyl]iminomethyl]-5-(diethylamino)phenol

2-[[4-[(E)-2-anthracen-9-ylethenyl]phenyl]iminomethyl]-5-(diethylamino)phenol (PubChem CID 137082909) has the molecular formula C33H30N2O and a molecular weight of 470.62 g/mol. Its IUPAC name is 2-[[4-[(E)-2-anthracen-9-ylethenyl]phenyl]iminomethyl]-5-(diethylamino)phenol.

Molecular Properties

Compound Name2-[[4-[(E)-2-anthracen-9-ylethenyl]phenyl]iminomethyl]-5-(diethylamino)phenol
PubChem CID137082909
Molecular FormulaC33H30N2O
Molecular Weight470.62 g/mol
Exact Mass470.24
IUPAC Name2-[[4-[(E)-2-anthracen-9-ylethenyl]phenyl]iminomethyl]-5-(diethylamino)phenol
SMILESCCN(CC)c1ccc(/C=N/c2ccc(/C=C/c3c4ccccc4cc4ccccc34)cc2)c(O)c1
InChIInChI=1S/C33H30N2O/c1-3-35(4-2)29-19-16-27(33(36)22-29)23-34-28-17-13-24(14-18-28)15-20-32-30-11-7-5-9-25(30)21-26-10-6-8-12-31(26)32/h5-23,36H,3-4H2,1-2H3/b20-15+,34-23+
InChIKeyBPLHWLYWESZOOH-UBRLNVJXSA-N
XLogP8.47
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.62
LogP ≤ 58.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(diethylamino)-2-(phenyliminomethyl)phenol
CID 641174
2-[[4-(diethylamino)phenyl]iminomethyl]-5-[ethyl(methyl)amino]phenol
CID 142086910
2-[(3,4-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol
CID 693567
5-(diethylamino)-2-[[4-(difluoromethoxy)phenyl]iminomethyl]phenol
CID 135774334
N-[4-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]phenyl]acetamide
CID 738975
[4-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]phenyl] thiocyanate
CID 135556431
2-(1,3-benzodioxol-5-yliminomethyl)-5-(diethylamino)phenol
CID 2352957
2-[2-[(E)-2-[4-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]propanedinitrile
CID 175444911
5-(diethylamino)-2-[[4-(tetrazol-1-yl)phenyl]iminomethyl]phenol
CID 135774370
5-(diethylamino)-2-[[3-(hydroxymethyl)-4-methoxyphenyl]iminomethyl]phenol
CID 136733745
5-(diethylamino)-2-[(2,4,6-trimethylphenyl)iminomethyl]phenol
CID 830890
2-[(4-amino-3,5-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol
CID 135675128

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(E)-2-anthracen-9-ylethenyl]phenyl]iminomethyl]-5-(diethylamino)phenol?
The IUPAC name of 2-[[4-[(E)-2-anthracen-9-ylethenyl]phenyl]iminomethyl]-5-(diethylamino)phenol (CID 137082909) is 2-[[4-[(E)-2-anthracen-9-ylethenyl]phenyl]iminomethyl]-5-(diethylamino)phenol.
What is the SMILES notation for 2-[[4-[(E)-2-anthracen-9-ylethenyl]phenyl]iminomethyl]-5-(diethylamino)phenol?
The canonical SMILES for 2-[[4-[(E)-2-anthracen-9-ylethenyl]phenyl]iminomethyl]-5-(diethylamino)phenol is CCN(CC)c1ccc(/C=N/c2ccc(/C=C/c3c4ccccc4cc4ccccc34)cc2)c(O)c1.
What is the InChIKey of 2-[[4-[(E)-2-anthracen-9-ylethenyl]phenyl]iminomethyl]-5-(diethylamino)phenol?
The InChIKey is BPLHWLYWESZOOH-UBRLNVJXSA-N. The full InChI is InChI=1S/C33H30N2O/c1-3-35(4-2)29-19-16-27(33(36)22-29)23-34-28-17-13-24(14-18-28)15-20-32-30-11-7-5-9-25(30)21-26-10-6-8-12-31(26)32/h5-23,36H,3-4H2,1-2H3/b20-15+,34-23+.
What are the key properties of 2-[[4-[(E)-2-anthracen-9-ylethenyl]phenyl]iminomethyl]-5-(diethylamino)phenol?
2-[[4-[(E)-2-anthracen-9-ylethenyl]phenyl]iminomethyl]-5-(diethylamino)phenol has a molecular weight of 470.62 g/mol, XLogP of 8.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(E)-2-anthracen-9-ylethenyl]phenyl]iminomethyl]-5-(diethylamino)phenol is sourced from PubChem (CID 137082909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).