2-(9-phenylcarbazole-3-carboximidoyl)aniline

C25H19N3 — CID 89095733

IUPAC2-(9-phenylcarbazole-3-carboximidoyl)aniline
SMILES[H]/N=C(/c1ccc2c(c1)c1ccccc1n2-c1ccccc1)c1ccccc1N
InChIInChI=1S/C25H19N3/c26-22-12-6-4-11-20(22)25(27)17-14-15-24-21(16-17)19-10-5-7-13-23(19)28(24)18-8-2-1-3-9-18/h1-16,27H,26H2/b27-25-
InChIKeyXEKITMCUEWUROO-RFBIWTDZSA-N
MW361.45 g/mol
LogP5.78
Rot. Bonds3

About 2-(9-phenylcarbazole-3-carboximidoyl)aniline

2-(9-phenylcarbazole-3-carboximidoyl)aniline (PubChem CID 89095733) has the molecular formula C25H19N3 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-(9-phenylcarbazole-3-carboximidoyl)aniline.

Molecular Properties

Compound Name2-(9-phenylcarbazole-3-carboximidoyl)aniline
PubChem CID89095733
Molecular FormulaC25H19N3
Molecular Weight361.45 g/mol
Exact Mass361.16
IUPAC Name2-(9-phenylcarbazole-3-carboximidoyl)aniline
SMILES[H]/N=C(/c1ccc2c(c1)c1ccccc1n2-c1ccccc1)c1ccccc1N
InChIInChI=1S/C25H19N3/c26-22-12-6-4-11-20(22)25(27)17-14-15-24-21(16-17)19-10-5-7-13-23(19)28(24)18-8-2-1-3-9-18/h1-16,27H,26H2/b27-25-
InChIKeyXEKITMCUEWUROO-RFBIWTDZSA-N
XLogP5.78
TPSA54.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.45
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-(9-phenylcarbazole-3-carboximidoyl)aniline
CID 144645655
2-oxo-2-(9-phenylcarbazol-3-yl)acetic acid
CID 22287027
[2-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),3,5,7,9,11,15,17,19,21,24,26,28-tetradecaene-13-carboximidoyl)phenyl]-(9-phenylcarbazol-3-yl)methanimine
CID 138752453
N-[2-(9-phenylcarbazole-2-carboximidoyl)phenyl]benzo[a]carbazol-11-amine
CID 145387163
methyl 9-phenylcarbazole-3-carboxylate
CID 164892004
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
2-(4-fluorobenzenecarboximidoyl)aniline
CID 86616565
benzenecarboximidoyl 4-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]benzenecarboximidate
CID 158693887
benzenecarboximidoyl 4-[3-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]benzenecarboximidate
CID 147193372
2-[(Z)-phenyl-[12-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-8-azatetracyclo[6.5.1.02,7.010,14]tetradeca-1(14),2,4,6,10,12-hexaen-9-ylidene]methyl]aniline
CID 118492879
9-phenylcarbazole-4-carboximidamide
CID 142504972
ethane;N-methyl-2-phenyl-4-(9-phenylcarbazol-3-yl)aniline;1-(naphthalene-1-carboximidoyl)naphthalen-2-amine
CID 144780279

Frequently Asked Questions

What is the IUPAC name of 2-(9-phenylcarbazole-3-carboximidoyl)aniline?
The IUPAC name of 2-(9-phenylcarbazole-3-carboximidoyl)aniline (CID 89095733) is 2-(9-phenylcarbazole-3-carboximidoyl)aniline.
What is the SMILES notation for 2-(9-phenylcarbazole-3-carboximidoyl)aniline?
The canonical SMILES for 2-(9-phenylcarbazole-3-carboximidoyl)aniline is [H]/N=C(/c1ccc2c(c1)c1ccccc1n2-c1ccccc1)c1ccccc1N.
What is the InChIKey of 2-(9-phenylcarbazole-3-carboximidoyl)aniline?
The InChIKey is XEKITMCUEWUROO-RFBIWTDZSA-N. The full InChI is InChI=1S/C25H19N3/c26-22-12-6-4-11-20(22)25(27)17-14-15-24-21(16-17)19-10-5-7-13-23(19)28(24)18-8-2-1-3-9-18/h1-16,27H,26H2/b27-25-.
What are the key properties of 2-(9-phenylcarbazole-3-carboximidoyl)aniline?
2-(9-phenylcarbazole-3-carboximidoyl)aniline has a molecular weight of 361.45 g/mol, XLogP of 5.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-phenylcarbazole-3-carboximidoyl)aniline is sourced from PubChem (CID 89095733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).