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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Related Compounds

1,4-dimethyl-6-phenoxy-9H-carbazole-3-carbaldehyde
CID 10064291
ethyl 3-(aminomethyl)-5-phenoxy-1H-indole-2-carboxylate
CID 94949097
3-methyl-5-phenoxy-1H-indole
CID 82494590
2-[(6-bromo-1,4-dimethyl-9H-carbazol-3-yl)methylideneamino]guanidine
CID 168592786
(5,8-dimethyl-6-nitro-9H-carbazol-3-yl) ethyl carbonate
CID 14662737
N-(6-methoxy-1,4-dimethyl-9H-carbazol-3-yl)-N-oxidohydroxylamine
CID 21142512
3-(1H-benzimidazol-2-yl)-6-methoxy-1,4-dimethyl-9H-carbazole
CID 168554394
4-[5-ethoxy-2-(3-phenoxyphenyl)-1H-indol-3-yl]butan-1-amine
CID 4309736
diethyl 2-[1-(3-phenoxyphenyl)ethylimino]propanedioate
CID 141472244
N-hydroxy-6-methoxy-1,4-dimethyl-9H-carbazol-3-amine oxide
CID 21142511
2,8-bis[4-(1-ethoxyethoxy)phenoxy]-5-phenyldibenzothiophen-5-ium
CID 163489194
2-phenoxy-10H-acridin-9-one
CID 14029103

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).