trisodium;4-[3,5-bis(4-oxidophenyl)phenyl]phenolate

C24H15Na3O3 — CID 139244618

IUPACtrisodium;4-[3,5-bis(4-oxidophenyl)phenyl]phenolate
SMILES[Na+].[Na+].[Na+].[O-]c1ccc(-c2cc(-c3ccc([O-])cc3)cc(-c3ccc([O-])cc3)c2)cc1
InChIInChI=1S/C24H18O3.3Na/c25-22-7-1-16(2-8-22)19-13-20(17-3-9-23(26)10-4-17)15-21(14-19)18-5-11-24(27)12-6-18;;;/h1-15,25-27H;;;/q;3*+1/p-3
InChIKeyUWMDSNSUGDSIHP-UHFFFAOYSA-K
MW420.35 g/mol
LogP-5.08
Rot. Bonds3

About trisodium;4-[3,5-bis(4-oxidophenyl)phenyl]phenolate

trisodium;4-[3,5-bis(4-oxidophenyl)phenyl]phenolate (PubChem CID 139244618) has the molecular formula C24H15Na3O3 and a molecular weight of 420.35 g/mol. Its IUPAC name is trisodium;4-[3,5-bis(4-oxidophenyl)phenyl]phenolate.

Molecular Properties

Compound Nametrisodium;4-[3,5-bis(4-oxidophenyl)phenyl]phenolate
PubChem CID139244618
Molecular FormulaC24H15Na3O3
Molecular Weight420.35 g/mol
Exact Mass420.07
IUPAC Nametrisodium;4-[3,5-bis(4-oxidophenyl)phenyl]phenolate
SMILES[Na+].[Na+].[Na+].[O-]c1ccc(-c2cc(-c3ccc([O-])cc3)cc(-c3ccc([O-])cc3)c2)cc1
InChIInChI=1S/C24H18O3.3Na/c25-22-7-1-16(2-8-22)19-13-20(17-3-9-23(26)10-4-17)15-21(14-19)18-5-11-24(27)12-6-18;;;/h1-15,25-27H;;;/q;3*+1/p-3
InChIKeyUWMDSNSUGDSIHP-UHFFFAOYSA-K
XLogP-5.08
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.35
LogP ≤ 5-5.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

sodium 4-(4-hydroxyphenyl)phenolate
CID 23684608
sodium 4-(3-aminophenyl)phenolate
CID 174384003
hexadecacyclo[56.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45.246,49.250,53.254,57]nonaconta-1(60),2(90),3,5(89),6(88),7,9(87),10(86),11,13(85),14(84),15,17(83),18(82),19,21(81),22(80),23,25(79),26(78),27,29(77),30(76),31,33(75),34,36,38,40,42,44,46,48,50,52,54,56,58,61,63,65,67,69,71,73-pentatetracontaene
CID 123382186
4-[3,5-bis(4-aminophenyl)phenyl]aniline
CID 12058813
ethane;1,3,5-tris(4-methylphenyl)benzene
CID 91508266
1-[3-(4-phenylphenyl)phenyl]-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124478
1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene
CID 166563615
1-(3-phenylphenyl)-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-(3-phenylphenyl)-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124504
1-methyl-3-[3-methyl-5-(4-methylphenyl)phenyl]-5-(4-methylphenyl)benzene
CID 58892368
disodium diphenoxide
CID 15819849
1,3,5-triphenylbenzene
CID 158331433
4,9,14,19,24-pentakis-phenylhexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(26),2(30),3,5,7(29),8,10,12(28),13,15,17,19,21(27),22,24-pentadecaene
CID 177480216

Frequently Asked Questions

What is the IUPAC name of trisodium;4-[3,5-bis(4-oxidophenyl)phenyl]phenolate?
The IUPAC name of trisodium;4-[3,5-bis(4-oxidophenyl)phenyl]phenolate (CID 139244618) is trisodium;4-[3,5-bis(4-oxidophenyl)phenyl]phenolate.
What is the SMILES notation for trisodium;4-[3,5-bis(4-oxidophenyl)phenyl]phenolate?
The canonical SMILES for trisodium;4-[3,5-bis(4-oxidophenyl)phenyl]phenolate is [Na+].[Na+].[Na+].[O-]c1ccc(-c2cc(-c3ccc([O-])cc3)cc(-c3ccc([O-])cc3)c2)cc1.
What is the InChIKey of trisodium;4-[3,5-bis(4-oxidophenyl)phenyl]phenolate?
The InChIKey is UWMDSNSUGDSIHP-UHFFFAOYSA-K. The full InChI is InChI=1S/C24H18O3.3Na/c25-22-7-1-16(2-8-22)19-13-20(17-3-9-23(26)10-4-17)15-21(14-19)18-5-11-24(27)12-6-18;;;/h1-15,25-27H;;;/q;3*+1/p-3.
What are the key properties of trisodium;4-[3,5-bis(4-oxidophenyl)phenyl]phenolate?
trisodium;4-[3,5-bis(4-oxidophenyl)phenyl]phenolate has a molecular weight of 420.35 g/mol, XLogP of -5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;4-[3,5-bis(4-oxidophenyl)phenyl]phenolate is sourced from PubChem (CID 139244618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).