[5-chloro-2-[[7-[[4-chloro-2-[hydroxy(oxo)phosphaniumyl]oxyphenyl]diazenyl]-1,8-dihydroxy-3,6-disulfonaphthalen-2-yl]diazenyl]phenoxy]-hydroxy-oxophosphanium

C22H14Cl2N4O14P2S2+2 — CID 136638216

IUPAC[5-chloro-2-[[7-[[4-chloro-2-[hydroxy(oxo)phosphaniumyl]oxyphenyl]diazenyl]-1,8-dihydroxy-3,6-disulfonaphthalen-2-yl]diazenyl]phenoxy]-hydroxy-oxophosphanium
SMILESO=[P+](O)Oc1cc(Cl)ccc1/N=N/c1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3ccc(Cl)cc3O[P+](=O)O)c(O)c2c1O
InChIInChI=1S/C22H12Cl2N4O14P2S2/c23-10-1-3-12(14(7-10)41-43(31)32)25-27-19-16(45(35,36)37)5-9-6-17(46(38,39)40)20(22(30)18(9)21(19)29)28-26-13-4-2-11(24)8-15(13)42-44(33)34/h1-8H,(H4-2,25,26,29,30,31,32,33,34,35,36,37,38,39,40)/p+2
InChIKeyQSJMLMJZNUKXJW-UHFFFAOYSA-P
MW755.36 g/mol
LogP6.94
Rot. Bonds10

About [5-chloro-2-[[7-[[4-chloro-2-[hydroxy(oxo)phosphaniumyl]oxyphenyl]diazenyl]-1,8-dihydroxy-3,6-disulfonaphthalen-2-yl]diazenyl]phenoxy]-hydroxy-oxophosphanium

[5-chloro-2-[[7-[[4-chloro-2-[hydroxy(oxo)phosphaniumyl]oxyphenyl]diazenyl]-1,8-dihydroxy-3,6-disulfonaphthalen-2-yl]diazenyl]phenoxy]-hydroxy-oxophosphanium (PubChem CID 136638216) has the molecular formula C22H14Cl2N4O14P2S2+2 and a molecular weight of 755.36 g/mol. Its IUPAC name is [5-chloro-2-[[7-[[4-chloro-2-[hydroxy(oxo)phosphaniumyl]oxyphenyl]diazenyl]-1,8-dihydroxy-3,6-disulfonaphthalen-2-yl]diazenyl]phenoxy]-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[5-chloro-2-[[7-[[4-chloro-2-[hydroxy(oxo)phosphaniumyl]oxyphenyl]diazenyl]-1,8-dihydroxy-3,6-disulfonaphthalen-2-yl]diazenyl]phenoxy]-hydroxy-oxophosphanium
PubChem CID136638216
Molecular FormulaC22H14Cl2N4O14P2S2+2
Molecular Weight755.36 g/mol
Exact Mass753.88
IUPAC Name[5-chloro-2-[[7-[[4-chloro-2-[hydroxy(oxo)phosphaniumyl]oxyphenyl]diazenyl]-1,8-dihydroxy-3,6-disulfonaphthalen-2-yl]diazenyl]phenoxy]-hydroxy-oxophosphanium
SMILESO=[P+](O)Oc1cc(Cl)ccc1/N=N/c1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3ccc(Cl)cc3O[P+](=O)O)c(O)c2c1O
InChIInChI=1S/C22H12Cl2N4O14P2S2/c23-10-1-3-12(14(7-10)41-43(31)32)25-27-19-16(45(35,36)37)5-9-6-17(46(38,39)40)20(22(30)18(9)21(19)29)28-26-13-4-2-11(24)8-15(13)42-44(33)34/h1-8H,(H4-2,25,26,29,30,31,32,33,34,35,36,37,38,39,40)/p+2
InChIKeyQSJMLMJZNUKXJW-UHFFFAOYSA-P
XLogP6.94
TPSA291.70 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500755.36
LogP ≤ 56.94
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze [5-chloro-2-[[7-[[4-chloro-2-[hydroxy(oxo)phosphaniumyl]oxyphenyl]diazenyl]-1,8-dihydroxy-3,6-disulfonaphthalen-2-yl]diazenyl]phenoxy]-hydroxy-oxophosphanium 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

CID 173322328
CID 173322328
3-[(4-chloro-2-phosphonophenyl)diazenyl]-4,5-dihydroxy-6-phenyldiazenylnaphthalene-2,7-disulfonic acid
CID 136771585
3-[(4-bromo-2-sulfophenyl)diazenyl]-4,5-dihydroxy-6-[(2-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid
CID 136806516
4-amino-3,6-bis[(4-amino-2-sulfophenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid
CID 135437239
4-amino-3-[(2,5-dichlorophenyl)diazenyl]-5-hydroxy-6-[[4-[4-[(4-hydroxyphenyl)diazenyl]phenyl]sulfanylphenyl]diazenyl]naphthalene-2,7-disulfonic acid
CID 135424412
4-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonic acid
CID 136857527
CID 165365866
CID 165365866
3-[(2-arsonophenyl)diazenyl]-6-[(2,6-dibromo-4-methylphenyl)diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfonic acid
CID 136728692
3-[(2,6-dibromo-4-methylphenyl)diazenyl]-4,5-dihydroxy-6-[(2-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid
CID 136740113
3-[(5-chloro-2-phenoxyphenyl)diazenyl]-4-hydroxy-5-(4-methyl-N-sulfoanilino)naphthalene-2,7-disulfonic acid
CID 136912022
4-amino-3-[(4-aminophenyl)diazenyl]-6-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid
CID 148671111
CID 137218003
CID 137218003

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[[7-[[4-chloro-2-[hydroxy(oxo)phosphaniumyl]oxyphenyl]diazenyl]-1,8-dihydroxy-3,6-disulfonaphthalen-2-yl]diazenyl]phenoxy]-hydroxy-oxophosphanium?
The IUPAC name of [5-chloro-2-[[7-[[4-chloro-2-[hydroxy(oxo)phosphaniumyl]oxyphenyl]diazenyl]-1,8-dihydroxy-3,6-disulfonaphthalen-2-yl]diazenyl]phenoxy]-hydroxy-oxophosphanium (CID 136638216) is [5-chloro-2-[[7-[[4-chloro-2-[hydroxy(oxo)phosphaniumyl]oxyphenyl]diazenyl]-1,8-dihydroxy-3,6-disulfonaphthalen-2-yl]diazenyl]phenoxy]-hydroxy-oxophosphanium.
What is the SMILES notation for [5-chloro-2-[[7-[[4-chloro-2-[hydroxy(oxo)phosphaniumyl]oxyphenyl]diazenyl]-1,8-dihydroxy-3,6-disulfonaphthalen-2-yl]diazenyl]phenoxy]-hydroxy-oxophosphanium?
The canonical SMILES for [5-chloro-2-[[7-[[4-chloro-2-[hydroxy(oxo)phosphaniumyl]oxyphenyl]diazenyl]-1,8-dihydroxy-3,6-disulfonaphthalen-2-yl]diazenyl]phenoxy]-hydroxy-oxophosphanium is O=[P+](O)Oc1cc(Cl)ccc1/N=N/c1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3ccc(Cl)cc3O[P+](=O)O)c(O)c2c1O.
What is the InChIKey of [5-chloro-2-[[7-[[4-chloro-2-[hydroxy(oxo)phosphaniumyl]oxyphenyl]diazenyl]-1,8-dihydroxy-3,6-disulfonaphthalen-2-yl]diazenyl]phenoxy]-hydroxy-oxophosphanium?
The InChIKey is QSJMLMJZNUKXJW-UHFFFAOYSA-P. The full InChI is InChI=1S/C22H12Cl2N4O14P2S2/c23-10-1-3-12(14(7-10)41-43(31)32)25-27-19-16(45(35,36)37)5-9-6-17(46(38,39)40)20(22(30)18(9)21(19)29)28-26-13-4-2-11(24)8-15(13)42-44(33)34/h1-8H,(H4-2,25,26,29,30,31,32,33,34,35,36,37,38,39,40)/p+2.
What are the key properties of [5-chloro-2-[[7-[[4-chloro-2-[hydroxy(oxo)phosphaniumyl]oxyphenyl]diazenyl]-1,8-dihydroxy-3,6-disulfonaphthalen-2-yl]diazenyl]phenoxy]-hydroxy-oxophosphanium?
[5-chloro-2-[[7-[[4-chloro-2-[hydroxy(oxo)phosphaniumyl]oxyphenyl]diazenyl]-1,8-dihydroxy-3,6-disulfonaphthalen-2-yl]diazenyl]phenoxy]-hydroxy-oxophosphanium has a molecular weight of 755.36 g/mol, XLogP of 6.94, 10 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[[7-[[4-chloro-2-[hydroxy(oxo)phosphaniumyl]oxyphenyl]diazenyl]-1,8-dihydroxy-3,6-disulfonaphthalen-2-yl]diazenyl]phenoxy]-hydroxy-oxophosphanium is sourced from PubChem (CID 136638216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).