N-phenyl-N-[(E)-(9-propan-2-ylcarbazol-3-yl)methylideneamino]aniline

C28H25N3 — CID 14982033

IUPACN-phenyl-N-[(E)-(9-propan-2-ylcarbazol-3-yl)methylideneamino]aniline
SMILESCC(C)n1c2ccccc2c2cc(/C=N/N(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C28H25N3/c1-21(2)30-27-16-10-9-15-25(27)26-19-22(17-18-28(26)30)20-29-31(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-21H,1-2H3/b29-20+
InChIKeyXEEVGEQCJYZSOT-ZTKZIYFRSA-N
MW403.53 g/mol
LogP7.55
Rot. Bonds5

About N-phenyl-N-[(E)-(9-propan-2-ylcarbazol-3-yl)methylideneamino]aniline

N-phenyl-N-[(E)-(9-propan-2-ylcarbazol-3-yl)methylideneamino]aniline (PubChem CID 14982033) has the molecular formula C28H25N3 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-phenyl-N-[(E)-(9-propan-2-ylcarbazol-3-yl)methylideneamino]aniline.

Molecular Properties

Compound NameN-phenyl-N-[(E)-(9-propan-2-ylcarbazol-3-yl)methylideneamino]aniline
PubChem CID14982033
Molecular FormulaC28H25N3
Molecular Weight403.53 g/mol
Exact Mass403.20
IUPAC NameN-phenyl-N-[(E)-(9-propan-2-ylcarbazol-3-yl)methylideneamino]aniline
SMILESCC(C)n1c2ccccc2c2cc(/C=N/N(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C28H25N3/c1-21(2)30-27-16-10-9-15-25(27)26-19-22(17-18-28(26)30)20-29-31(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-21H,1-2H3/b29-20+
InChIKeyXEEVGEQCJYZSOT-ZTKZIYFRSA-N
XLogP7.55
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.53
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-(4-methoxyphenyl)-N-[(E)-(9-propan-2-ylcarbazol-3-yl)methylideneamino]aniline
CID 22900228
N-[(9-ethynylcarbazol-3-yl)methylideneamino]-N-phenylaniline
CID 59922674
9-propan-2-ylcarbazole-3-carbaldehyde
CID 16762077
4-N-[4-(diethylamino)phenyl]-1-N,1-N-diethyl-4-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]benzene-1,4-diamine
CID 20761205
N-[(9-decylcarbazol-3-yl)methylideneamino]-N-phenyl-4-(2-phenylethenyl)aniline
CID 72620759
N-[(E)-(9-ethyl-6-methylcarbazol-3-yl)methylideneamino]-N-phenylaniline
CID 20650346
N-[[6-[(diphenylhydrazinylidene)methyl]-9-(oxiran-2-ylmethyl)carbazol-3-yl]methylideneamino]-N-phenylaniline
CID 74016610
N-methyl-N-[[9-[9-[3-[[methyl(phenyl)hydrazinylidene]methyl]carbazol-9-yl]nonyl]carbazol-3-yl]methylideneamino]aniline
CID 54328629
N-ethyl-N-[(9-methylcarbazol-3-yl)methylideneamino]aniline
CID 58681613
N-[(E)-[9-(2-ethylhexyl)carbazol-3-yl]methylideneamino]-N-methylaniline
CID 20719215
N-[(E)-(4-carbazol-9-ylphenyl)methylideneamino]-N-methylaniline
CID 18730197
5-methyl-N-[(Z)-(9-pentylcarbazol-3-yl)methylideneamino]-N,1-diphenylpyrazol-3-amine
CID 59696037

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[(E)-(9-propan-2-ylcarbazol-3-yl)methylideneamino]aniline?
The IUPAC name of N-phenyl-N-[(E)-(9-propan-2-ylcarbazol-3-yl)methylideneamino]aniline (CID 14982033) is N-phenyl-N-[(E)-(9-propan-2-ylcarbazol-3-yl)methylideneamino]aniline.
What is the SMILES notation for N-phenyl-N-[(E)-(9-propan-2-ylcarbazol-3-yl)methylideneamino]aniline?
The canonical SMILES for N-phenyl-N-[(E)-(9-propan-2-ylcarbazol-3-yl)methylideneamino]aniline is CC(C)n1c2ccccc2c2cc(/C=N/N(c3ccccc3)c3ccccc3)ccc21.
What is the InChIKey of N-phenyl-N-[(E)-(9-propan-2-ylcarbazol-3-yl)methylideneamino]aniline?
The InChIKey is XEEVGEQCJYZSOT-ZTKZIYFRSA-N. The full InChI is InChI=1S/C28H25N3/c1-21(2)30-27-16-10-9-15-25(27)26-19-22(17-18-28(26)30)20-29-31(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-21H,1-2H3/b29-20+.
What are the key properties of N-phenyl-N-[(E)-(9-propan-2-ylcarbazol-3-yl)methylideneamino]aniline?
N-phenyl-N-[(E)-(9-propan-2-ylcarbazol-3-yl)methylideneamino]aniline has a molecular weight of 403.53 g/mol, XLogP of 7.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[(E)-(9-propan-2-ylcarbazol-3-yl)methylideneamino]aniline is sourced from PubChem (CID 14982033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).