N-(2,2-diethoxyethyl)-1-(1,4-dimethyl-6-phenoxy-9H-carbazol-3-yl)methanimine

C27H30N2O3 — CID 10048341

IUPACN-(2,2-diethoxyethyl)-1-(1,4-dimethyl-6-phenoxy-9H-carbazol-3-yl)methanimine
SMILESCCOC(C/N=C/c1cc(C)c2[nH]c3ccc(Oc4ccccc4)cc3c2c1C)OCC
InChIInChI=1S/C27H30N2O3/c1-5-30-25(31-6-2)17-28-16-20-14-18(3)27-26(19(20)4)23-15-22(12-13-24(23)29-27)32-21-10-8-7-9-11-21/h7-16,25,29H,5-6,17H2,1-4H3/b28-16+
InChIKeyXSQDELRFRUZOOL-LQKURTRISA-N
MW430.55 g/mol
LogP6.55
Rot. Bonds9

About N-(2,2-diethoxyethyl)-1-(1,4-dimethyl-6-phenoxy-9H-carbazol-3-yl)methanimine

N-(2,2-diethoxyethyl)-1-(1,4-dimethyl-6-phenoxy-9H-carbazol-3-yl)methanimine (PubChem CID 10048341) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-1-(1,4-dimethyl-6-phenoxy-9H-carbazol-3-yl)methanimine.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-1-(1,4-dimethyl-6-phenoxy-9H-carbazol-3-yl)methanimine
PubChem CID10048341
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC NameN-(2,2-diethoxyethyl)-1-(1,4-dimethyl-6-phenoxy-9H-carbazol-3-yl)methanimine
SMILESCCOC(C/N=C/c1cc(C)c2[nH]c3ccc(Oc4ccccc4)cc3c2c1C)OCC
InChIInChI=1S/C27H30N2O3/c1-5-30-25(31-6-2)17-28-16-20-14-18(3)27-26(19(20)4)23-15-22(12-13-24(23)29-27)32-21-10-8-7-9-11-21/h7-16,25,29H,5-6,17H2,1-4H3/b28-16+
InChIKeyXSQDELRFRUZOOL-LQKURTRISA-N
XLogP6.55
TPSA55.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-1-(1,4-dimethyl-6-phenoxy-9H-carbazol-3-yl)methanimine?
The IUPAC name of N-(2,2-diethoxyethyl)-1-(1,4-dimethyl-6-phenoxy-9H-carbazol-3-yl)methanimine (CID 10048341) is N-(2,2-diethoxyethyl)-1-(1,4-dimethyl-6-phenoxy-9H-carbazol-3-yl)methanimine.
What is the SMILES notation for N-(2,2-diethoxyethyl)-1-(1,4-dimethyl-6-phenoxy-9H-carbazol-3-yl)methanimine?
The canonical SMILES for N-(2,2-diethoxyethyl)-1-(1,4-dimethyl-6-phenoxy-9H-carbazol-3-yl)methanimine is CCOC(C/N=C/c1cc(C)c2[nH]c3ccc(Oc4ccccc4)cc3c2c1C)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-1-(1,4-dimethyl-6-phenoxy-9H-carbazol-3-yl)methanimine?
The InChIKey is XSQDELRFRUZOOL-LQKURTRISA-N. The full InChI is InChI=1S/C27H30N2O3/c1-5-30-25(31-6-2)17-28-16-20-14-18(3)27-26(19(20)4)23-15-22(12-13-24(23)29-27)32-21-10-8-7-9-11-21/h7-16,25,29H,5-6,17H2,1-4H3/b28-16+.
What are the key properties of N-(2,2-diethoxyethyl)-1-(1,4-dimethyl-6-phenoxy-9H-carbazol-3-yl)methanimine?
N-(2,2-diethoxyethyl)-1-(1,4-dimethyl-6-phenoxy-9H-carbazol-3-yl)methanimine has a molecular weight of 430.55 g/mol, XLogP of 6.55, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-1-(1,4-dimethyl-6-phenoxy-9H-carbazol-3-yl)methanimine is sourced from PubChem (CID 10048341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).