1-(4-methylphenyl)-N-phenyl-1-(9-propylcarbazol-3-yl)methanimine

C29H26N2 — CID 154349174

IUPAC1-(4-methylphenyl)-N-phenyl-1-(9-propylcarbazol-3-yl)methanimine
SMILESCCCn1c2ccccc2c2cc(/C(=N/c3ccccc3)c3ccc(C)cc3)ccc21
InChIInChI=1S/C29H26N2/c1-3-19-31-27-12-8-7-11-25(27)26-20-23(17-18-28(26)31)29(22-15-13-21(2)14-16-22)30-24-9-5-4-6-10-24/h4-18,20H,3,19H2,1-2H3/b30-29+
InChIKeyBKANNHGAPRVLRQ-QVIHXGFCSA-N
MW402.54 g/mol
LogP7.68
Rot. Bonds5

About 1-(4-methylphenyl)-N-phenyl-1-(9-propylcarbazol-3-yl)methanimine

1-(4-methylphenyl)-N-phenyl-1-(9-propylcarbazol-3-yl)methanimine (PubChem CID 154349174) has the molecular formula C29H26N2 and a molecular weight of 402.54 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-phenyl-1-(9-propylcarbazol-3-yl)methanimine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-phenyl-1-(9-propylcarbazol-3-yl)methanimine
PubChem CID154349174
Molecular FormulaC29H26N2
Molecular Weight402.54 g/mol
Exact Mass402.21
IUPAC Name1-(4-methylphenyl)-N-phenyl-1-(9-propylcarbazol-3-yl)methanimine
SMILESCCCn1c2ccccc2c2cc(/C(=N/c3ccccc3)c3ccc(C)cc3)ccc21
InChIInChI=1S/C29H26N2/c1-3-19-31-27-12-8-7-11-25(27)26-20-23(17-18-28(26)31)29(22-15-13-21(2)14-16-22)30-24-9-5-4-6-10-24/h4-18,20H,3,19H2,1-2H3/b30-29+
InChIKeyBKANNHGAPRVLRQ-QVIHXGFCSA-N
XLogP7.68
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-propylcarbazole-3-carbonyl iodide
CID 88957757
1-(9-propylcarbazol-3-yl)butan-1-one
CID 145412526
1-(2-ethyl-1-methylindol-3-yl)-N-(4-methylphenyl)-1-phenylmethanimine
CID 154348234
(9-pentylcarbazol-3-yl)-phenylmethanone
CID 56651356
N'-amino-9-[(4-methylphenyl)methyl]carbazole-3-carboximidamide
CID 143271307
9-(4-carbazol-9-ylbutyl)-3,6-dimethylcarbazole
CID 58771349
9-ethylcarbazole-3-carboxylic acid
CID 4912869
9-ethyl-3-[(E)-2-(9-ethylcarbazol-3-yl)-1,2-diphenylethenyl]carbazole
CID 102220131
N-(7-bromo-9-butylcarbazol-2-yl)-1,1-diphenylmethanimine
CID 134281226
1-(2-ethyl-1-methylindol-3-yl)-N,1-diphenylmethanimine
CID 154312945
1,4-bis(9-butylcarbazol-3-yl)-2,3-dihydroxybutane-1,4-dione
CID 19982347
2-(9-hexylcarbazole-3-carbonyl)benzoic acid
CID 135031219

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-phenyl-1-(9-propylcarbazol-3-yl)methanimine?
The IUPAC name of 1-(4-methylphenyl)-N-phenyl-1-(9-propylcarbazol-3-yl)methanimine (CID 154349174) is 1-(4-methylphenyl)-N-phenyl-1-(9-propylcarbazol-3-yl)methanimine.
What is the SMILES notation for 1-(4-methylphenyl)-N-phenyl-1-(9-propylcarbazol-3-yl)methanimine?
The canonical SMILES for 1-(4-methylphenyl)-N-phenyl-1-(9-propylcarbazol-3-yl)methanimine is CCCn1c2ccccc2c2cc(/C(=N/c3ccccc3)c3ccc(C)cc3)ccc21.
What is the InChIKey of 1-(4-methylphenyl)-N-phenyl-1-(9-propylcarbazol-3-yl)methanimine?
The InChIKey is BKANNHGAPRVLRQ-QVIHXGFCSA-N. The full InChI is InChI=1S/C29H26N2/c1-3-19-31-27-12-8-7-11-25(27)26-20-23(17-18-28(26)31)29(22-15-13-21(2)14-16-22)30-24-9-5-4-6-10-24/h4-18,20H,3,19H2,1-2H3/b30-29+.
What are the key properties of 1-(4-methylphenyl)-N-phenyl-1-(9-propylcarbazol-3-yl)methanimine?
1-(4-methylphenyl)-N-phenyl-1-(9-propylcarbazol-3-yl)methanimine has a molecular weight of 402.54 g/mol, XLogP of 7.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-phenyl-1-(9-propylcarbazol-3-yl)methanimine is sourced from PubChem (CID 154349174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).