4-[[4-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]iminomethyl]-N,N-diethylaniline

C37H33N3 — CID 132940991

IUPAC4-[[4-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]iminomethyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(/C=N/c2ccc(/C=C/c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C37H33N3/c1-3-39(4-2)32-23-19-30(20-24-32)27-38-31-21-15-28(16-22-31)13-14-29-17-25-33(26-18-29)40-36-11-7-5-9-34(36)35-10-6-8-12-37(35)40/h5-27H,3-4H2,1-2H3/b14-13+,38-27+
InChIKeyAFQXUMLHWLXWOP-NTBUEYCISA-N
MW519.69 g/mol
LogP9.55
Rot. Bonds8

About 4-[[4-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]iminomethyl]-N,N-diethylaniline

4-[[4-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]iminomethyl]-N,N-diethylaniline (PubChem CID 132940991) has the molecular formula C37H33N3 and a molecular weight of 519.69 g/mol. Its IUPAC name is 4-[[4-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]iminomethyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[[4-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]iminomethyl]-N,N-diethylaniline
PubChem CID132940991
Molecular FormulaC37H33N3
Molecular Weight519.69 g/mol
Exact Mass519.27
IUPAC Name4-[[4-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]iminomethyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(/C=N/c2ccc(/C=C/c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C37H33N3/c1-3-39(4-2)32-23-19-30(20-24-32)27-38-31-21-15-28(16-22-31)13-14-29-17-25-33(26-18-29)40-36-11-7-5-9-34(36)35-10-6-8-12-37(35)40/h5-27H,3-4H2,1-2H3/b14-13+,38-27+
InChIKeyAFQXUMLHWLXWOP-NTBUEYCISA-N
XLogP9.55
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.69
LogP ≤ 59.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-carbazol-9-ylphenyl)-4-[2-(4-ethylphenyl)ethenyl]-N-phenylaniline
CID 76557056
(2E)-2-[2-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]-6-[(E)-2-[4-(diethylamino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile
CID 59700489
N-phenyl-9-(4-phenylphenyl)-N-[4-[2-[4-(N-[9-(4-phenylphenyl)carbazol-3-yl]anilino)phenyl]ethenyl]phenyl]carbazol-3-amine
CID 76557074
9-[4-[(E)-prop-1-enyl]phenyl]carbazole
CID 58370912
N-[(E)-(4-carbazol-9-ylphenyl)methylideneamino]-N-methylaniline
CID 18730197
4-[2-[3,5-bis[2-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diethylaniline
CID 57028933
4-[(9-ethylcarbazol-3-yl)methylideneamino]-N,N-dimethylaniline
CID 12752582
10-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]phenyl]acridin-9-one
CID 91612597
2-[[4-[(E)-2-anthracen-9-ylethenyl]phenyl]iminomethyl]-5-(diethylamino)phenol
CID 137082909
4-carbazol-9-yl-N,N-diethylaniline;4-(4-carbazol-9-ylphenyl)-N,N-diethylaniline;bis(9,9-diphenylfluorene);ethane
CID 160998425
4-[(E)-2-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diethylaniline
CID 102038782
N-[4-[4-[[4-(diethylamino)phenyl]methylideneamino]phenyl]sulfanylphenyl]hydroxylamine
CID 89343522

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]iminomethyl]-N,N-diethylaniline?
The IUPAC name of 4-[[4-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]iminomethyl]-N,N-diethylaniline (CID 132940991) is 4-[[4-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]iminomethyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[[4-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]iminomethyl]-N,N-diethylaniline?
The canonical SMILES for 4-[[4-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]iminomethyl]-N,N-diethylaniline is CCN(CC)c1ccc(/C=N/c2ccc(/C=C/c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1.
What is the InChIKey of 4-[[4-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]iminomethyl]-N,N-diethylaniline?
The InChIKey is AFQXUMLHWLXWOP-NTBUEYCISA-N. The full InChI is InChI=1S/C37H33N3/c1-3-39(4-2)32-23-19-30(20-24-32)27-38-31-21-15-28(16-22-31)13-14-29-17-25-33(26-18-29)40-36-11-7-5-9-34(36)35-10-6-8-12-37(35)40/h5-27H,3-4H2,1-2H3/b14-13+,38-27+.
What are the key properties of 4-[[4-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]iminomethyl]-N,N-diethylaniline?
4-[[4-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]iminomethyl]-N,N-diethylaniline has a molecular weight of 519.69 g/mol, XLogP of 9.55, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]iminomethyl]-N,N-diethylaniline is sourced from PubChem (CID 132940991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).