(1S,5S,7S,11S)-2,10-bis(2,6-dichlorophenyl)-1,11-bis(4-methoxyphenyl)-4,8-dioxa-3,9-diazadispiro[4.1.47.35]tetradeca-2,9-dien-6-one

C36H28Cl4N2O5 — CID 139066110

IUPAC(1S,5S,7S,11S)-2,10-bis(2,6-dichlorophenyl)-1,11-bis(4-methoxyphenyl)-4,8-dioxa-3,9-diazadispiro[4.1.47.35]tetradeca-2,9-dien-6-one
SMILESCOc1ccc([C@H]2C(c3c(Cl)cccc3Cl)=NO[C@@]23CCC[C@@]2(ON=C(c4c(Cl)cccc4Cl)[C@@H]2c2ccc(OC)cc2)C3=O)cc1
InChIInChI=1S/C36H28Cl4N2O5/c1-44-22-14-10-20(11-15-22)30-32(28-24(37)6-3-7-25(28)38)41-46-35(30)18-5-19-36(34(35)43)31(21-12-16-23(45-2)17-13-21)33(42-47-36)29-26(39)8-4-9-27(29)40/h3-4,6-17,30-31H,5,18-19H2,1-2H3/t30-,31-,35-,36-/m0/s1
InChIKeyXPEFXIIIODHKNY-LGPNGYOUSA-N
MW710.44 g/mol
LogP9.28
Rot. Bonds6

About (1S,5S,7S,11S)-2,10-bis(2,6-dichlorophenyl)-1,11-bis(4-methoxyphenyl)-4,8-dioxa-3,9-diazadispiro[4.1.47.35]tetradeca-2,9-dien-6-one

(1S,5S,7S,11S)-2,10-bis(2,6-dichlorophenyl)-1,11-bis(4-methoxyphenyl)-4,8-dioxa-3,9-diazadispiro[4.1.47.35]tetradeca-2,9-dien-6-one (PubChem CID 139066110) has the molecular formula C36H28Cl4N2O5 and a molecular weight of 710.44 g/mol. Its IUPAC name is (1S,5S,7S,11S)-2,10-bis(2,6-dichlorophenyl)-1,11-bis(4-methoxyphenyl)-4,8-dioxa-3,9-diazadispiro[4.1.47.35]tetradeca-2,9-dien-6-one.

Molecular Properties

Compound Name(1S,5S,7S,11S)-2,10-bis(2,6-dichlorophenyl)-1,11-bis(4-methoxyphenyl)-4,8-dioxa-3,9-diazadispiro[4.1.47.35]tetradeca-2,9-dien-6-one
PubChem CID139066110
Molecular FormulaC36H28Cl4N2O5
Molecular Weight710.44 g/mol
Exact Mass708.08
IUPAC Name(1S,5S,7S,11S)-2,10-bis(2,6-dichlorophenyl)-1,11-bis(4-methoxyphenyl)-4,8-dioxa-3,9-diazadispiro[4.1.47.35]tetradeca-2,9-dien-6-one
SMILESCOc1ccc([C@H]2C(c3c(Cl)cccc3Cl)=NO[C@@]23CCC[C@@]2(ON=C(c4c(Cl)cccc4Cl)[C@@H]2c2ccc(OC)cc2)C3=O)cc1
InChIInChI=1S/C36H28Cl4N2O5/c1-44-22-14-10-20(11-15-22)30-32(28-24(37)6-3-7-25(28)38)41-46-35(30)18-5-19-36(34(35)43)31(21-12-16-23(45-2)17-13-21)33(42-47-36)29-26(39)8-4-9-27(29)40/h3-4,6-17,30-31H,5,18-19H2,1-2H3/t30-,31-,35-,36-/m0/s1
InChIKeyXPEFXIIIODHKNY-LGPNGYOUSA-N
XLogP9.28
TPSA78.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.44
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (1S,5S,7S,11S)-2,10-bis(2,6-dichlorophenyl)-1,11-bis(4-methoxyphenyl)-4,8-dioxa-3,9-diazadispiro[4.1.47.35]tetradeca-2,9-dien-6-one 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

(1S,5S,7S,11S)-2,10-bis(2,6-dichlorophenyl)-1,11-diphenyl-4,8-dioxa-3,9-diazadispiro[4.1.47.45]pentadeca-2,9-dien-6-one
CID 139066151
CID 102490932
CID 102490932
(3S,4'R)-7-chloro-3'-(4-methoxyphenyl)-4'-phenylspiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one
CID 73054745
CID 102048360
CID 102048360
(5S)-3-(2,6-dichlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 129386102
(3R,4'R)-3',4'-bis(4-methoxyphenyl)spiro[1-benzofuran-3,5'-4H-1,2-oxazole]-2-one
CID 102154957
(Z)-N-[(2,6-dichlorophenyl)methoxy]-1-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]ethanimine
CID 6558279
N-[(2,6-dichlorophenyl)methoxy]-1-[2-(4-methoxyphenyl)cyclopropyl]ethanimine
CID 3789844
4'-(4-chlorophenyl)-3'-(4-methoxyphenyl)-2-phenylspiro[2H-chromene-3,5'-4H-1,2-oxazole]-4-one
CID 101271227
3-(2,6-dichlorophenyl)-spiro[5.3']1'-benzyl-4-piperidone-spiro[5'.3'']1-N-methyl-4-phenyl-pyrrolidine-spiro[2''.3''']oxindole-4-phenyl-isoxazoline
CID 139066265
1-[5-hydroxy-3-(4-methoxyphenyl)-4-phenyl-4H-1,2-oxazol-5-yl]cyclopropane-1-carboxylic acid
CID 140536855
(3S,4'R)-4'-(4-methoxyphenyl)-3'-phenylspiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one
CID 12981966

Frequently Asked Questions

What is the IUPAC name of (1S,5S,7S,11S)-2,10-bis(2,6-dichlorophenyl)-1,11-bis(4-methoxyphenyl)-4,8-dioxa-3,9-diazadispiro[4.1.47.35]tetradeca-2,9-dien-6-one?
The IUPAC name of (1S,5S,7S,11S)-2,10-bis(2,6-dichlorophenyl)-1,11-bis(4-methoxyphenyl)-4,8-dioxa-3,9-diazadispiro[4.1.47.35]tetradeca-2,9-dien-6-one (CID 139066110) is (1S,5S,7S,11S)-2,10-bis(2,6-dichlorophenyl)-1,11-bis(4-methoxyphenyl)-4,8-dioxa-3,9-diazadispiro[4.1.47.35]tetradeca-2,9-dien-6-one.
What is the SMILES notation for (1S,5S,7S,11S)-2,10-bis(2,6-dichlorophenyl)-1,11-bis(4-methoxyphenyl)-4,8-dioxa-3,9-diazadispiro[4.1.47.35]tetradeca-2,9-dien-6-one?
The canonical SMILES for (1S,5S,7S,11S)-2,10-bis(2,6-dichlorophenyl)-1,11-bis(4-methoxyphenyl)-4,8-dioxa-3,9-diazadispiro[4.1.47.35]tetradeca-2,9-dien-6-one is COc1ccc([C@H]2C(c3c(Cl)cccc3Cl)=NO[C@@]23CCC[C@@]2(ON=C(c4c(Cl)cccc4Cl)[C@@H]2c2ccc(OC)cc2)C3=O)cc1.
What is the InChIKey of (1S,5S,7S,11S)-2,10-bis(2,6-dichlorophenyl)-1,11-bis(4-methoxyphenyl)-4,8-dioxa-3,9-diazadispiro[4.1.47.35]tetradeca-2,9-dien-6-one?
The InChIKey is XPEFXIIIODHKNY-LGPNGYOUSA-N. The full InChI is InChI=1S/C36H28Cl4N2O5/c1-44-22-14-10-20(11-15-22)30-32(28-24(37)6-3-7-25(28)38)41-46-35(30)18-5-19-36(34(35)43)31(21-12-16-23(45-2)17-13-21)33(42-47-36)29-26(39)8-4-9-27(29)40/h3-4,6-17,30-31H,5,18-19H2,1-2H3/t30-,31-,35-,36-/m0/s1.
What are the key properties of (1S,5S,7S,11S)-2,10-bis(2,6-dichlorophenyl)-1,11-bis(4-methoxyphenyl)-4,8-dioxa-3,9-diazadispiro[4.1.47.35]tetradeca-2,9-dien-6-one?
(1S,5S,7S,11S)-2,10-bis(2,6-dichlorophenyl)-1,11-bis(4-methoxyphenyl)-4,8-dioxa-3,9-diazadispiro[4.1.47.35]tetradeca-2,9-dien-6-one has a molecular weight of 710.44 g/mol, XLogP of 9.28, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S,7S,11S)-2,10-bis(2,6-dichlorophenyl)-1,11-bis(4-methoxyphenyl)-4,8-dioxa-3,9-diazadispiro[4.1.47.35]tetradeca-2,9-dien-6-one is sourced from PubChem (CID 139066110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).