2-amino-5-[[5'-(4-amino-3-hydroxyphenoxy)-4,4,4',4',7,7'-hexamethyl-2,2'-spirobi[3H-chromene]-5-yl]oxy]phenol

C35H38N2O6 — CID 158885006

IUPAC2-amino-5-[[5'-(4-amino-3-hydroxyphenoxy)-4,4,4',4',7,7'-hexamethyl-2,2'-spirobi[3H-chromene]-5-yl]oxy]phenol
SMILESCc1cc(Oc2ccc(N)c(O)c2)c2c(c1)OC1(CC2(C)C)CC(C)(C)c2c(Oc3ccc(N)c(O)c3)cc(C)cc2O1
InChIInChI=1S/C35H38N2O6/c1-19-11-27(40-21-7-9-23(36)25(38)15-21)31-29(13-19)42-35(17-33(31,3)4)18-34(5,6)32-28(12-20(2)14-30(32)43-35)41-22-8-10-24(37)26(39)16-22/h7-16,38-39H,17-18,36-37H2,1-6H3
InChIKeyJDNDBMOSXXFCJT-UHFFFAOYSA-N
MW582.70 g/mol
LogP7.98
Rot. Bonds4

About 2-amino-5-[[5'-(4-amino-3-hydroxyphenoxy)-4,4,4',4',7,7'-hexamethyl-2,2'-spirobi[3H-chromene]-5-yl]oxy]phenol

2-amino-5-[[5'-(4-amino-3-hydroxyphenoxy)-4,4,4',4',7,7'-hexamethyl-2,2'-spirobi[3H-chromene]-5-yl]oxy]phenol (PubChem CID 158885006) has the molecular formula C35H38N2O6 and a molecular weight of 582.70 g/mol. Its IUPAC name is 2-amino-5-[[5'-(4-amino-3-hydroxyphenoxy)-4,4,4',4',7,7'-hexamethyl-2,2'-spirobi[3H-chromene]-5-yl]oxy]phenol.

Molecular Properties

Compound Name2-amino-5-[[5'-(4-amino-3-hydroxyphenoxy)-4,4,4',4',7,7'-hexamethyl-2,2'-spirobi[3H-chromene]-5-yl]oxy]phenol
PubChem CID158885006
Molecular FormulaC35H38N2O6
Molecular Weight582.70 g/mol
Exact Mass582.27
IUPAC Name2-amino-5-[[5'-(4-amino-3-hydroxyphenoxy)-4,4,4',4',7,7'-hexamethyl-2,2'-spirobi[3H-chromene]-5-yl]oxy]phenol
SMILESCc1cc(Oc2ccc(N)c(O)c2)c2c(c1)OC1(CC2(C)C)CC(C)(C)c2c(Oc3ccc(N)c(O)c3)cc(C)cc2O1
InChIInChI=1S/C35H38N2O6/c1-19-11-27(40-21-7-9-23(36)25(38)15-21)31-29(13-19)42-35(17-33(31,3)4)18-34(5,6)32-28(12-20(2)14-30(32)43-35)41-22-8-10-24(37)26(39)16-22/h7-16,38-39H,17-18,36-37H2,1-6H3
InChIKeyJDNDBMOSXXFCJT-UHFFFAOYSA-N
XLogP7.98
TPSA129.42 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.70
LogP ≤ 57.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-[[5'-(4-amino-3-hydroxyphenoxy)-1,1,1',1',6,6'-hexamethyl-3,3'-spirobi[2H-indene]-5-yl]oxy]phenol
CID 161312466
2-amino-5-[[17-(4-amino-3-hydroxyphenoxy)-2,2,8,11,11,16-hexamethyl-7-tricyclo[12.4.0.05,10]octadeca-1(14),5(10),6,8,15,17-hexaenyl]oxy]phenol
CID 142083823
5-amino-2-(4-amino-3-hydroxyphenoxy)phenol
CID 66776227
2-amino-5-[4-[3-[3-[4-(4-amino-3-hydroxyphenoxy)phenyl]-5,7-dimethyl-1-adamantyl]-5,7-dimethyl-1-adamantyl]phenoxy]phenol
CID 67520238
7'-(hydroxymethyl)-7-methoxy-4,4,4',4',5'-pentamethyl-2,2'-spirobi[3H-chromene]-6,6'-diol
CID 162093098
2-amino-5-[4-[10-[4-(4-methylphenoxy)phenyl]anthracen-9-yl]phenoxy]phenol
CID 22979018
2,3-bis(4-amino-3-hydroxyphenoxy)benzoic acid
CID 141051376
4-methyl-2-(3-methylphenoxy)aniline
CID 26189584
2-amino-5-[2-(4-amino-3-hydroxyphenoxy)-3,4,5,6-tetrafluorophenoxy]phenol
CID 139971174
4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-7,7'-diamine
CID 67055545
2,4-bis(3-methylphenoxy)aniline
CID 34173748
4-(4-amino-3-methylphenoxy)phenol
CID 150102226

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[[5'-(4-amino-3-hydroxyphenoxy)-4,4,4',4',7,7'-hexamethyl-2,2'-spirobi[3H-chromene]-5-yl]oxy]phenol?
The IUPAC name of 2-amino-5-[[5'-(4-amino-3-hydroxyphenoxy)-4,4,4',4',7,7'-hexamethyl-2,2'-spirobi[3H-chromene]-5-yl]oxy]phenol (CID 158885006) is 2-amino-5-[[5'-(4-amino-3-hydroxyphenoxy)-4,4,4',4',7,7'-hexamethyl-2,2'-spirobi[3H-chromene]-5-yl]oxy]phenol.
What is the SMILES notation for 2-amino-5-[[5'-(4-amino-3-hydroxyphenoxy)-4,4,4',4',7,7'-hexamethyl-2,2'-spirobi[3H-chromene]-5-yl]oxy]phenol?
The canonical SMILES for 2-amino-5-[[5'-(4-amino-3-hydroxyphenoxy)-4,4,4',4',7,7'-hexamethyl-2,2'-spirobi[3H-chromene]-5-yl]oxy]phenol is Cc1cc(Oc2ccc(N)c(O)c2)c2c(c1)OC1(CC2(C)C)CC(C)(C)c2c(Oc3ccc(N)c(O)c3)cc(C)cc2O1.
What is the InChIKey of 2-amino-5-[[5'-(4-amino-3-hydroxyphenoxy)-4,4,4',4',7,7'-hexamethyl-2,2'-spirobi[3H-chromene]-5-yl]oxy]phenol?
The InChIKey is JDNDBMOSXXFCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38N2O6/c1-19-11-27(40-21-7-9-23(36)25(38)15-21)31-29(13-19)42-35(17-33(31,3)4)18-34(5,6)32-28(12-20(2)14-30(32)43-35)41-22-8-10-24(37)26(39)16-22/h7-16,38-39H,17-18,36-37H2,1-6H3.
What are the key properties of 2-amino-5-[[5'-(4-amino-3-hydroxyphenoxy)-4,4,4',4',7,7'-hexamethyl-2,2'-spirobi[3H-chromene]-5-yl]oxy]phenol?
2-amino-5-[[5'-(4-amino-3-hydroxyphenoxy)-4,4,4',4',7,7'-hexamethyl-2,2'-spirobi[3H-chromene]-5-yl]oxy]phenol has a molecular weight of 582.70 g/mol, XLogP of 7.98, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[[5'-(4-amino-3-hydroxyphenoxy)-4,4,4',4',7,7'-hexamethyl-2,2'-spirobi[3H-chromene]-5-yl]oxy]phenol is sourced from PubChem (CID 158885006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).