N-[(E)-(9-ethyl-6-methylcarbazol-3-yl)methylideneamino]-N-phenylaniline

C28H25N3 — CID 20650346

IUPACN-[(E)-(9-ethyl-6-methylcarbazol-3-yl)methylideneamino]-N-phenylaniline
SMILESCCn1c2ccc(C)cc2c2cc(/C=N/N(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C28H25N3/c1-3-30-27-16-14-21(2)18-25(27)26-19-22(15-17-28(26)30)20-29-31(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-20H,3H2,1-2H3/b29-20+
InChIKeyGHPYVFZMAQEFSN-ZTKZIYFRSA-N
MW403.53 g/mol
LogP7.30
Rot. Bonds5

About N-[(E)-(9-ethyl-6-methylcarbazol-3-yl)methylideneamino]-N-phenylaniline

N-[(E)-(9-ethyl-6-methylcarbazol-3-yl)methylideneamino]-N-phenylaniline (PubChem CID 20650346) has the molecular formula C28H25N3 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-[(E)-(9-ethyl-6-methylcarbazol-3-yl)methylideneamino]-N-phenylaniline.

Molecular Properties

Compound NameN-[(E)-(9-ethyl-6-methylcarbazol-3-yl)methylideneamino]-N-phenylaniline
PubChem CID20650346
Molecular FormulaC28H25N3
Molecular Weight403.53 g/mol
Exact Mass403.20
IUPAC NameN-[(E)-(9-ethyl-6-methylcarbazol-3-yl)methylideneamino]-N-phenylaniline
SMILESCCn1c2ccc(C)cc2c2cc(/C=N/N(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C28H25N3/c1-3-30-27-16-14-21(2)18-25(27)26-19-22(15-17-28(26)30)20-29-31(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-20H,3H2,1-2H3/b29-20+
InChIKeyGHPYVFZMAQEFSN-ZTKZIYFRSA-N
XLogP7.30
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 ≤ 57.30
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

N-[[6-[(diphenylhydrazinylidene)methyl]-9-(oxiran-2-ylmethyl)carbazol-3-yl]methylideneamino]-N-phenylaniline
CID 74016610
N-[(9-decylcarbazol-3-yl)methylideneamino]-N-phenyl-4-(2-phenylethenyl)aniline
CID 72620759
N-[4-[(diphenylhydrazinylidene)methyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 42614307
N-phenyl-N-[(E)-(9-propan-2-ylcarbazol-3-yl)methylideneamino]aniline
CID 14982033
N-[(9-ethylcarbazol-3-yl)methylideneamino]-N,4-dimethylbenzenesulfonamide
CID 23960642
N-[(9-ethynylcarbazol-3-yl)methylideneamino]-N-phenylaniline
CID 59922674
1-(N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]anilino)-3-[3-(N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]anilino)-2-hydroxypropyl]sulfanylpropan-2-ol
CID 59653627
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-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-4-methyl-N-(oxiran-2-ylmethyl)aniline;N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-N-(oxiran-2-ylmethyl)aniline;N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-N-(oxiran-2-ylmethyl)naphthalen-2-amine;N-[(E)-[9-ethyl-6-[(E)-[naphthalen-2-yl(oxiran-2-ylmethyl)hydrazinylidene]methyl]carbazol-3-yl]methylideneamino]-N-(oxiran-2-ylmethyl)naphthalen-2-amine;N-[(E)-[9-ethyl-6-[(E)-[oxiran-2-ylmethyl(phenyl)hydrazinylidene]methyl]carbazol-3-yl]methylideneamino]-N-(oxiran-2-ylmethyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-[(E)-[oxiran-2-ylmethyl(phenyl)hydrazinylidene]methyl]phenyl]aniline;4-methyl-N-(oxiran-2-ylmethyl)-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]aniline;N-(oxiran-2-ylmethyl)-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]naphthalen-2-amine;4-[(E)-[oxiran-2-ylmethyl(phenyl)hydrazinylidene]methyl]-N,N-diphenylaniline
CID 172955320
5-methyl-N-[(Z)-(9-pentylcarbazol-3-yl)methylideneamino]-N,1-diphenylpyrazol-3-amine
CID 59696037
N-[(4-ethenylphenyl)methyl]-N-[[9-ethyl-6-(9-ethylcarbazol-3-yl)carbazol-3-yl]methylideneamino]aniline
CID 155899468
1-(N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]anilino)-3-[2-[3-(N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]anilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 12023189

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(9-ethyl-6-methylcarbazol-3-yl)methylideneamino]-N-phenylaniline?
The IUPAC name of N-[(E)-(9-ethyl-6-methylcarbazol-3-yl)methylideneamino]-N-phenylaniline (CID 20650346) is N-[(E)-(9-ethyl-6-methylcarbazol-3-yl)methylideneamino]-N-phenylaniline.
What is the SMILES notation for N-[(E)-(9-ethyl-6-methylcarbazol-3-yl)methylideneamino]-N-phenylaniline?
The canonical SMILES for N-[(E)-(9-ethyl-6-methylcarbazol-3-yl)methylideneamino]-N-phenylaniline is CCn1c2ccc(C)cc2c2cc(/C=N/N(c3ccccc3)c3ccccc3)ccc21.
What is the InChIKey of N-[(E)-(9-ethyl-6-methylcarbazol-3-yl)methylideneamino]-N-phenylaniline?
The InChIKey is GHPYVFZMAQEFSN-ZTKZIYFRSA-N. The full InChI is InChI=1S/C28H25N3/c1-3-30-27-16-14-21(2)18-25(27)26-19-22(15-17-28(26)30)20-29-31(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-20H,3H2,1-2H3/b29-20+.
What are the key properties of N-[(E)-(9-ethyl-6-methylcarbazol-3-yl)methylideneamino]-N-phenylaniline?
N-[(E)-(9-ethyl-6-methylcarbazol-3-yl)methylideneamino]-N-phenylaniline has a molecular weight of 403.53 g/mol, XLogP of 7.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(9-ethyl-6-methylcarbazol-3-yl)methylideneamino]-N-phenylaniline is sourced from PubChem (CID 20650346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).