(9-methyl-6-nitrocarbazol-3-yl)-(2-methylphenyl)methanimine

C21H17N3O2 — CID 90305167

IUPAC(9-methyl-6-nitrocarbazol-3-yl)-(2-methylphenyl)methanimine
SMILES[H]/N=C(\c1ccc2c(c1)c1cc([N+](=O)[O-])ccc1n2C)c1ccccc1C
InChIInChI=1S/C21H17N3O2/c1-13-5-3-4-6-16(13)21(22)14-7-9-19-17(11-14)18-12-15(24(25)26)8-10-20(18)23(19)2/h3-12,22H,1-2H3/b22-21+
InChIKeyZAFSKWNIWBCWFU-QURGRASLSA-N
MW343.39 g/mol
LogP4.96
Rot. Bonds3

About (9-methyl-6-nitrocarbazol-3-yl)-(2-methylphenyl)methanimine

(9-methyl-6-nitrocarbazol-3-yl)-(2-methylphenyl)methanimine (PubChem CID 90305167) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is (9-methyl-6-nitrocarbazol-3-yl)-(2-methylphenyl)methanimine.

Molecular Properties

Compound Name(9-methyl-6-nitrocarbazol-3-yl)-(2-methylphenyl)methanimine
PubChem CID90305167
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name(9-methyl-6-nitrocarbazol-3-yl)-(2-methylphenyl)methanimine
SMILES[H]/N=C(\c1ccc2c(c1)c1cc([N+](=O)[O-])ccc1n2C)c1ccccc1C
InChIInChI=1S/C21H17N3O2/c1-13-5-3-4-6-16(13)21(22)14-7-9-19-17(11-14)18-12-15(24(25)26)8-10-20(18)23(19)2/h3-12,22H,1-2H3/b22-21+
InChIKeyZAFSKWNIWBCWFU-QURGRASLSA-N
XLogP4.96
TPSA71.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-nitro-2-(3-nitrobenzenecarboximidoyl)phenol
CID 135580954
(1-methyl-5-nitro-3-phenylindol-2-yl)methanol
CID 752812
9-methyl-6-nitrocarbazole-3-carbaldehyde
CID 23559399
1-(9-methylcarbazol-3-yl)-3-(4-nitrophenyl)prop-2-en-1-one
CID 3123837
(NE)-N-[(1,2-dimethyl-5-nitroindol-3-yl)methylidene]hydroxylamine
CID 6872352
(1-methyl-5-nitro-3-phenylindol-2-yl)methanamine;hydrochloride
CID 13071415
[(Z)-[(2-methylphenyl)-(8-nitrodibenzothiophen-2-yl)methylidene]amino] acetate
CID 162451749
1,3-dimethyl-6-nitroquinazoline-2,4-dione
CID 12666513
2-butyl-1-methyl-5-nitro-3-phenylindole
CID 158637734
N-[(1-methyl-5-nitro-3-phenylindol-2-yl)methyl]ethanamine
CID 71148623
2-methyl-N'-(4-nitrobenzoyl)benzohydrazide
CID 3762572
2,5-dimethyl-8-nitro-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 82232102

Frequently Asked Questions

What is the IUPAC name of (9-methyl-6-nitrocarbazol-3-yl)-(2-methylphenyl)methanimine?
The IUPAC name of (9-methyl-6-nitrocarbazol-3-yl)-(2-methylphenyl)methanimine (CID 90305167) is (9-methyl-6-nitrocarbazol-3-yl)-(2-methylphenyl)methanimine.
What is the SMILES notation for (9-methyl-6-nitrocarbazol-3-yl)-(2-methylphenyl)methanimine?
The canonical SMILES for (9-methyl-6-nitrocarbazol-3-yl)-(2-methylphenyl)methanimine is [H]/N=C(\c1ccc2c(c1)c1cc([N+](=O)[O-])ccc1n2C)c1ccccc1C.
What is the InChIKey of (9-methyl-6-nitrocarbazol-3-yl)-(2-methylphenyl)methanimine?
The InChIKey is ZAFSKWNIWBCWFU-QURGRASLSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-13-5-3-4-6-16(13)21(22)14-7-9-19-17(11-14)18-12-15(24(25)26)8-10-20(18)23(19)2/h3-12,22H,1-2H3/b22-21+.
What are the key properties of (9-methyl-6-nitrocarbazol-3-yl)-(2-methylphenyl)methanimine?
(9-methyl-6-nitrocarbazol-3-yl)-(2-methylphenyl)methanimine has a molecular weight of 343.39 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9-methyl-6-nitrocarbazol-3-yl)-(2-methylphenyl)methanimine is sourced from PubChem (CID 90305167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).