(9S)-7-methoxy-9-(3-methoxyphenyl)-N-(4-methoxyphenyl)-3,3-dimethyl-4,9-dihydro-2H-xanthen-1-imine

C30H31NO4 — CID 122216547

IUPAC(9S)-7-methoxy-9-(3-methoxyphenyl)-N-(4-methoxyphenyl)-3,3-dimethyl-4,9-dihydro-2H-xanthen-1-imine
SMILESCOc1ccc(/N=C2\CC(C)(C)CC3=C2[C@@H](c2cccc(OC)c2)c2cc(OC)ccc2O3)cc1
InChIInChI=1S/C30H31NO4/c1-30(2)17-25(31-20-9-11-21(32-3)12-10-20)29-27(18-30)35-26-14-13-23(34-5)16-24(26)28(29)19-7-6-8-22(15-19)33-4/h6-16,28H,17-18H2,1-5H3/b31-25+/t28-/m0/s1
InChIKeyGNLIRLHDCPZXIR-UJZYUHLBSA-N
MW469.58 g/mol
LogP7.08
Rot. Bonds5

About (9S)-7-methoxy-9-(3-methoxyphenyl)-N-(4-methoxyphenyl)-3,3-dimethyl-4,9-dihydro-2H-xanthen-1-imine

(9S)-7-methoxy-9-(3-methoxyphenyl)-N-(4-methoxyphenyl)-3,3-dimethyl-4,9-dihydro-2H-xanthen-1-imine (PubChem CID 122216547) has the molecular formula C30H31NO4 and a molecular weight of 469.58 g/mol. Its IUPAC name is (9S)-7-methoxy-9-(3-methoxyphenyl)-N-(4-methoxyphenyl)-3,3-dimethyl-4,9-dihydro-2H-xanthen-1-imine.

Molecular Properties

Compound Name(9S)-7-methoxy-9-(3-methoxyphenyl)-N-(4-methoxyphenyl)-3,3-dimethyl-4,9-dihydro-2H-xanthen-1-imine
PubChem CID122216547
Molecular FormulaC30H31NO4
Molecular Weight469.58 g/mol
Exact Mass469.23
IUPAC Name(9S)-7-methoxy-9-(3-methoxyphenyl)-N-(4-methoxyphenyl)-3,3-dimethyl-4,9-dihydro-2H-xanthen-1-imine
SMILESCOc1ccc(/N=C2\CC(C)(C)CC3=C2[C@@H](c2cccc(OC)c2)c2cc(OC)ccc2O3)cc1
InChIInChI=1S/C30H31NO4/c1-30(2)17-25(31-20-9-11-21(32-3)12-10-20)29-27(18-30)35-26-14-13-23(34-5)16-24(26)28(29)19-7-6-8-22(15-19)33-4/h6-16,28H,17-18H2,1-5H3/b31-25+/t28-/m0/s1
InChIKeyGNLIRLHDCPZXIR-UJZYUHLBSA-N
XLogP7.08
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.58
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (9S)-7-methoxy-9-(3-methoxyphenyl)-N-(4-methoxyphenyl)-3,3-dimethyl-4,9-dihydro-2H-xanthen-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (4S)-2-amino-4-(3-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
CID 1010522
(8R)-8-(3-methoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one
CID 680082
propan-2-yl (4S)-2-amino-4-(3-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
CID 139236241
(10R)-10-(3-methoxyphenyl)-7,7-dimethyl-5,6,8,10-tetrahydro-[1,3]benzodioxolo[5,6-b]quinolin-9-one
CID 7228335
12-(4-methoxyphenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one
CID 101493789
2-methoxy-9,9-dimethyl-12-(4-nitrophenyl)-10,12-dihydro-8H-benzo[a]xanthen-11-one
CID 56964203
3-amino-4-(3-methoxyphenyl)-6,6-dimethyl-8-oxo-5,7-dihydro-4H-chromene-2-carbonitrile
CID 23857277
3-(2,4-dimethoxyphenyl)-5',5',6,6-tetramethylspiro[5,7-dihydro-3H-1-benzofuran-2,2'-cyclohexane]-1',3',4-trione
CID 171919273
4-(3-methoxyphenyl)-7,7-dimethyl-1-phenyl-3-(trifluoromethyl)-6,8-dihydro-4H-chromeno[3,2-d]pyrazol-5-one
CID 132524364
(8S)-8-(3-methoxyphenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one
CID 92846178
2-amino-4-(6-methoxynaphthalen-1-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
CID 132819823
2-(4-methoxyphenyl)-7,7-dimethyl-4-phenyl-6,8-dihydro-4H-chromen-5-one
CID 15140152

Frequently Asked Questions

What is the IUPAC name of (9S)-7-methoxy-9-(3-methoxyphenyl)-N-(4-methoxyphenyl)-3,3-dimethyl-4,9-dihydro-2H-xanthen-1-imine?
The IUPAC name of (9S)-7-methoxy-9-(3-methoxyphenyl)-N-(4-methoxyphenyl)-3,3-dimethyl-4,9-dihydro-2H-xanthen-1-imine (CID 122216547) is (9S)-7-methoxy-9-(3-methoxyphenyl)-N-(4-methoxyphenyl)-3,3-dimethyl-4,9-dihydro-2H-xanthen-1-imine.
What is the SMILES notation for (9S)-7-methoxy-9-(3-methoxyphenyl)-N-(4-methoxyphenyl)-3,3-dimethyl-4,9-dihydro-2H-xanthen-1-imine?
The canonical SMILES for (9S)-7-methoxy-9-(3-methoxyphenyl)-N-(4-methoxyphenyl)-3,3-dimethyl-4,9-dihydro-2H-xanthen-1-imine is COc1ccc(/N=C2\CC(C)(C)CC3=C2[C@@H](c2cccc(OC)c2)c2cc(OC)ccc2O3)cc1.
What is the InChIKey of (9S)-7-methoxy-9-(3-methoxyphenyl)-N-(4-methoxyphenyl)-3,3-dimethyl-4,9-dihydro-2H-xanthen-1-imine?
The InChIKey is GNLIRLHDCPZXIR-UJZYUHLBSA-N. The full InChI is InChI=1S/C30H31NO4/c1-30(2)17-25(31-20-9-11-21(32-3)12-10-20)29-27(18-30)35-26-14-13-23(34-5)16-24(26)28(29)19-7-6-8-22(15-19)33-4/h6-16,28H,17-18H2,1-5H3/b31-25+/t28-/m0/s1.
What are the key properties of (9S)-7-methoxy-9-(3-methoxyphenyl)-N-(4-methoxyphenyl)-3,3-dimethyl-4,9-dihydro-2H-xanthen-1-imine?
(9S)-7-methoxy-9-(3-methoxyphenyl)-N-(4-methoxyphenyl)-3,3-dimethyl-4,9-dihydro-2H-xanthen-1-imine has a molecular weight of 469.58 g/mol, XLogP of 7.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-7-methoxy-9-(3-methoxyphenyl)-N-(4-methoxyphenyl)-3,3-dimethyl-4,9-dihydro-2H-xanthen-1-imine is sourced from PubChem (CID 122216547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).