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

C26H21N3 — CID 144645655

IUPACN-methyl-2-(9-phenylcarbazole-3-carboximidoyl)aniline
SMILES[H]/N=C(/c1ccc2c(c1)c1ccccc1n2-c1ccccc1)c1ccccc1NC
InChIInChI=1S/C26H21N3/c1-28-23-13-7-5-12-21(23)26(27)18-15-16-25-22(17-18)20-11-6-8-14-24(20)29(25)19-9-3-2-4-10-19/h2-17,27-28H,1H3/b27-26-
InChIKeySOOUTDSEJOIJQL-RQZHXJHFSA-N
MW375.48 g/mol
LogP6.24
Rot. Bonds4

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

N-methyl-2-(9-phenylcarbazole-3-carboximidoyl)aniline (PubChem CID 144645655) has the molecular formula C26H21N3 and a molecular weight of 375.48 g/mol. Its IUPAC name is N-methyl-2-(9-phenylcarbazole-3-carboximidoyl)aniline.

Molecular Properties

Compound NameN-methyl-2-(9-phenylcarbazole-3-carboximidoyl)aniline
PubChem CID144645655
Molecular FormulaC26H21N3
Molecular Weight375.48 g/mol
Exact Mass375.17
IUPAC NameN-methyl-2-(9-phenylcarbazole-3-carboximidoyl)aniline
SMILES[H]/N=C(/c1ccc2c(c1)c1ccccc1n2-c1ccccc1)c1ccccc1NC
InChIInChI=1S/C26H21N3/c1-28-23-13-7-5-12-21(23)26(27)18-15-16-25-22(17-18)20-11-6-8-14-24(20)29(25)19-9-3-2-4-10-19/h2-17,27-28H,1H3/b27-26-
InChIKeySOOUTDSEJOIJQL-RQZHXJHFSA-N
XLogP6.24
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.48
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(9-phenylcarbazole-3-carboximidoyl)aniline
CID 89095733
N-[2-(9-phenylcarbazole-2-carboximidoyl)phenyl]benzo[a]carbazol-11-amine
CID 145387163
2-oxo-2-(9-phenylcarbazol-3-yl)acetic acid
CID 22287027
2-(4-naphthalen-2-ylbenzenecarboximidoyl)-N-[[4-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)phenyl]methyl]aniline
CID 118204231
[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
ethane;N-methyl-2-phenyl-4-(9-phenylcarbazol-3-yl)aniline;1-(naphthalene-1-carboximidoyl)naphthalen-2-amine
CID 144780279
methyl 9-phenylcarbazole-3-carboxylate
CID 164892004
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
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
4-[2-[[4-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]methylamino]benzenecarboximidoyl]benzonitrile
CID 121291550
2-(benzenecarboximidoyl)-N-[[4-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]methyl]aniline
CID 121291545

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(9-phenylcarbazole-3-carboximidoyl)aniline?
The IUPAC name of N-methyl-2-(9-phenylcarbazole-3-carboximidoyl)aniline (CID 144645655) is N-methyl-2-(9-phenylcarbazole-3-carboximidoyl)aniline.
What is the SMILES notation for N-methyl-2-(9-phenylcarbazole-3-carboximidoyl)aniline?
The canonical SMILES for N-methyl-2-(9-phenylcarbazole-3-carboximidoyl)aniline is [H]/N=C(/c1ccc2c(c1)c1ccccc1n2-c1ccccc1)c1ccccc1NC.
What is the InChIKey of N-methyl-2-(9-phenylcarbazole-3-carboximidoyl)aniline?
The InChIKey is SOOUTDSEJOIJQL-RQZHXJHFSA-N. The full InChI is InChI=1S/C26H21N3/c1-28-23-13-7-5-12-21(23)26(27)18-15-16-25-22(17-18)20-11-6-8-14-24(20)29(25)19-9-3-2-4-10-19/h2-17,27-28H,1H3/b27-26-.
What are the key properties of N-methyl-2-(9-phenylcarbazole-3-carboximidoyl)aniline?
N-methyl-2-(9-phenylcarbazole-3-carboximidoyl)aniline has a molecular weight of 375.48 g/mol, XLogP of 6.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(9-phenylcarbazole-3-carboximidoyl)aniline is sourced from PubChem (CID 144645655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).