N-[(9-ethylcarbazol-3-yl)methyl]-N'-(4-nitrophenyl)ethane-1,2-diamine

C23H24N4O2 — CID 4722587

IUPACN-[(9-ethylcarbazol-3-yl)methyl]-N'-(4-nitrophenyl)ethane-1,2-diamine
SMILESCCn1c2ccccc2c2cc(CNCCNc3ccc([N+](=O)[O-])cc3)ccc21
InChIInChI=1S/C23H24N4O2/c1-2-26-22-6-4-3-5-20(22)21-15-17(7-12-23(21)26)16-24-13-14-25-18-8-10-19(11-9-18)27(28)29/h3-12,15,24-25H,2,13-14,16H2,1H3
InChIKeyGPUHWMXZFYGJFW-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.92
Rot. Bonds8

About N-[(9-ethylcarbazol-3-yl)methyl]-N'-(4-nitrophenyl)ethane-1,2-diamine

N-[(9-ethylcarbazol-3-yl)methyl]-N'-(4-nitrophenyl)ethane-1,2-diamine (PubChem CID 4722587) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[(9-ethylcarbazol-3-yl)methyl]-N'-(4-nitrophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[(9-ethylcarbazol-3-yl)methyl]-N'-(4-nitrophenyl)ethane-1,2-diamine
PubChem CID4722587
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-[(9-ethylcarbazol-3-yl)methyl]-N'-(4-nitrophenyl)ethane-1,2-diamine
SMILESCCn1c2ccccc2c2cc(CNCCNc3ccc([N+](=O)[O-])cc3)ccc21
InChIInChI=1S/C23H24N4O2/c1-2-26-22-6-4-3-5-20(22)21-15-17(7-12-23(21)26)16-24-13-14-25-18-8-10-19(11-9-18)27(28)29/h3-12,15,24-25H,2,13-14,16H2,1H3
InChIKeyGPUHWMXZFYGJFW-UHFFFAOYSA-N
XLogP4.92
TPSA72.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

N-[[3,5-bis[[3-[(9-ethylcarbazol-3-yl)amino]propylamino]methyl]phenyl]methyl]-N'-(9-ethylcarbazol-3-yl)propane-1,3-diamine
CID 10373569
N-[(9-ethylcarbazol-3-yl)methyl]-2-methoxy-5-nitroaniline;oxalic acid
CID 17367825
9-ethyl-3-(4-nitrophenyl)sulfonylcarbazole
CID 134312293
N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]-N'-(4-nitrophenyl)ethane-1,2-diamine
CID 17157939
N'-(9-ethylcarbazol-3-yl)-N-[[3-[[3-[(9-ethylcarbazol-3-yl)amino]propylamino]methyl]phenyl]methyl]propane-1,3-diamine;oxalic acid
CID 170909065
N-[(4-fluorophenyl)methyl]-N'-(4-nitrophenyl)ethane-1,2-diamine;hydrochloride
CID 17291539
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N'-(4-nitrophenyl)ethane-1,2-diamine
CID 4722316
N-[(9-ethylcarbazol-3-yl)methyl]-1-naphthalen-2-ylmethanamine
CID 164792573
9-ethyl-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]carbazole
CID 7060320
N',N'-dibutyl-N-[(9-ethylcarbazol-3-yl)methyl]propane-1,3-diamine;dihydrochloride
CID 17214739
4-[[2-(4-nitroanilino)ethylamino]methyl]benzoic acid
CID 17157967
3-amino-4-[(9-ethylcarbazol-3-yl)methylamino]cyclobut-3-ene-1,2-dione
CID 167951604

Frequently Asked Questions

What is the IUPAC name of N-[(9-ethylcarbazol-3-yl)methyl]-N'-(4-nitrophenyl)ethane-1,2-diamine?
The IUPAC name of N-[(9-ethylcarbazol-3-yl)methyl]-N'-(4-nitrophenyl)ethane-1,2-diamine (CID 4722587) is N-[(9-ethylcarbazol-3-yl)methyl]-N'-(4-nitrophenyl)ethane-1,2-diamine.
What is the SMILES notation for N-[(9-ethylcarbazol-3-yl)methyl]-N'-(4-nitrophenyl)ethane-1,2-diamine?
The canonical SMILES for N-[(9-ethylcarbazol-3-yl)methyl]-N'-(4-nitrophenyl)ethane-1,2-diamine is CCn1c2ccccc2c2cc(CNCCNc3ccc([N+](=O)[O-])cc3)ccc21.
What is the InChIKey of N-[(9-ethylcarbazol-3-yl)methyl]-N'-(4-nitrophenyl)ethane-1,2-diamine?
The InChIKey is GPUHWMXZFYGJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-2-26-22-6-4-3-5-20(22)21-15-17(7-12-23(21)26)16-24-13-14-25-18-8-10-19(11-9-18)27(28)29/h3-12,15,24-25H,2,13-14,16H2,1H3.
What are the key properties of N-[(9-ethylcarbazol-3-yl)methyl]-N'-(4-nitrophenyl)ethane-1,2-diamine?
N-[(9-ethylcarbazol-3-yl)methyl]-N'-(4-nitrophenyl)ethane-1,2-diamine has a molecular weight of 388.47 g/mol, XLogP of 4.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(9-ethylcarbazol-3-yl)methyl]-N'-(4-nitrophenyl)ethane-1,2-diamine is sourced from PubChem (CID 4722587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).