4-amino-5-hydroxy-6-[[5-hydroxy-6-[(4-methoxy-2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-3-[[5-hydroxy-6-[[4-nitro-2-(trioxidanylsulfanyl)phenyl]diazenyl]-7-sulfonaphthalen-2-yl]diazenyl]-7-sulfinooxynaphthalene-2-sulfonic acid

C43H30N10O24S6 — CID 91867592

IUPAC4-amino-5-hydroxy-6-[[5-hydroxy-6-[(4-methoxy-2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-3-[[5-hydroxy-6-[[4-nitro-2-(trioxidanylsulfanyl)phenyl]diazenyl]-7-sulfonaphthalen-2-yl]diazenyl]-7-sulfinooxynaphthalene-2-sulfonic acid
SMILESCOc1ccc(/N=N/c2c(SOOO)cc3cc(/N=N/c4c(OS(=O)O)cc5cc(S(=O)(=O)O)c(/N=N/c6ccc7c(O)c(/N=N/c8ccc([N+](=O)[O-])cc8SOOO)c(S(=O)(=O)O)cc7c6)c(N)c5c4O)ccc3c2O)c(S(=O)(=O)O)c1
InChIInChI=1S/C43H30N10O24S6/c1-72-24-5-9-28(32(17-24)81(63,64)65)48-50-38-31(79-77-75-60)13-18-10-21(2-6-25(18)41(38)54)45-49-37-29(73-80(61)62)12-20-15-33(82(66,67)68)39(36(44)35(20)43(37)56)51-46-22-3-7-26-19(11-22)14-34(83(69,70)71)40(42(26)55)52-47-27-8-4-23(53(57)58)16-30(27)78-76-74-59/h2-17,54-56,59-60H,44H2,1H3,(H,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)/b49-45+,50-48+,51-46+,52-47+
InChIKeySCYIMFJWIAKFCF-RCARNIOCSA-N
MW1263.16 g/mol
LogP11.54
Rot. Bonds21

About 4-amino-5-hydroxy-6-[[5-hydroxy-6-[(4-methoxy-2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-3-[[5-hydroxy-6-[[4-nitro-2-(trioxidanylsulfanyl)phenyl]diazenyl]-7-sulfonaphthalen-2-yl]diazenyl]-7-sulfinooxynaphthalene-2-sulfonic acid

4-amino-5-hydroxy-6-[[5-hydroxy-6-[(4-methoxy-2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-3-[[5-hydroxy-6-[[4-nitro-2-(trioxidanylsulfanyl)phenyl]diazenyl]-7-sulfonaphthalen-2-yl]diazenyl]-7-sulfinooxynaphthalene-2-sulfonic acid (PubChem CID 91867592) has the molecular formula C43H30N10O24S6 and a molecular weight of 1263.16 g/mol. Its IUPAC name is 4-amino-5-hydroxy-6-[[5-hydroxy-6-[(4-methoxy-2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-3-[[5-hydroxy-6-[[4-nitro-2-(trioxidanylsulfanyl)phenyl]diazenyl]-7-sulfonaphthalen-2-yl]diazenyl]-7-sulfinooxynaphthalene-2-sulfonic acid.

Molecular Properties

Compound Name4-amino-5-hydroxy-6-[[5-hydroxy-6-[(4-methoxy-2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-3-[[5-hydroxy-6-[[4-nitro-2-(trioxidanylsulfanyl)phenyl]diazenyl]-7-sulfonaphthalen-2-yl]diazenyl]-7-sulfinooxynaphthalene-2-sulfonic acid
PubChem CID91867592
Molecular FormulaC43H30N10O24S6
Molecular Weight1263.16 g/mol
Exact Mass1261.98
IUPAC Name4-amino-5-hydroxy-6-[[5-hydroxy-6-[(4-methoxy-2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-3-[[5-hydroxy-6-[[4-nitro-2-(trioxidanylsulfanyl)phenyl]diazenyl]-7-sulfonaphthalen-2-yl]diazenyl]-7-sulfinooxynaphthalene-2-sulfonic acid
SMILESCOc1ccc(/N=N/c2c(SOOO)cc3cc(/N=N/c4c(OS(=O)O)cc5cc(S(=O)(=O)O)c(/N=N/c6ccc7c(O)c(/N=N/c8ccc([N+](=O)[O-])cc8SOOO)c(S(=O)(=O)O)cc7c6)c(N)c5c4O)ccc3c2O)c(S(=O)(=O)O)c1
InChIInChI=1S/C43H30N10O24S6/c1-72-24-5-9-28(32(17-24)81(63,64)65)48-50-38-31(79-77-75-60)13-18-10-21(2-6-25(18)41(38)54)45-49-37-29(73-80(61)62)12-20-15-33(82(66,67)68)39(36(44)35(20)43(37)56)51-46-22-3-7-26-19(11-22)14-34(83(69,70)71)40(42(26)55)52-47-27-8-4-23(53(57)58)16-30(27)78-76-74-59/h2-17,54-56,59-60H,44H2,1H3,(H,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)/b49-45+,50-48+,51-46+,52-47+
InChIKeySCYIMFJWIAKFCF-RCARNIOCSA-N
XLogP11.54
TPSA524.98 Ų
H-Bond Donors10
H-Bond Acceptors31
Rotatable Bonds21
Heavy Atoms83
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001263.16
LogP ≤ 511.54
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-amino-5-hydroxy-6-[[5-hydroxy-6-[(4-methoxy-2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-3-[[5-hydroxy-6-[[4-nitro-2-(trioxidanylsulfanyl)phenyl]diazenyl]-7-sulfonaphthalen-2-yl]diazenyl]-7-sulfinooxynaphthalene-2-sulfonic acid with MolForge

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Related Compounds

3-[[4-amino-2-(trioxidanylsulfanyl)phenyl]diazenyl]-4,5-dihydroxy-6-[(4-nitro-2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid
CID 135812885
2-[[1-amino-8-hydroxy-7-[[5-hydroxy-6-[(4-methoxyphenyl)diazenyl]-1-sulfo-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfinooxy-3-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-6-[[4-methoxy-2-(trioxidanylsulfanyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid;2-[[1-amino-8-hydroxy-7-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfinooxy-3-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-6-[[4-methoxy-2-(trioxidanylsulfanyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid;2-[[2-anilino-5-hydroxy-6-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]naphthalene-1,7-disulfonic acid;4-[[4-[[6-[[2-anilino-5-hydroxy-6-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]-2-methyl-5-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid;2-[[2-anilino-5-hydroxy-6-[[5-hydroxy-1-sulfo-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]naphthalene-1,7-disulfonic acid
CID 158606016
2-[[1-hydroxy-6-methyl-3-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-5-methoxybenzenesulfonic acid
CID 135731568
2-[[1,8-dihydroxy-7-[(4-nitro-2-sulfophenyl)diazenyl]-3-sulfo-6-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-5-nitrobenzoic acid
CID 135980667
4-amino-6-[(2-chloro-4-nitrophenyl)diazenyl]-5-hydroxy-3-[[4-[2-[methyl(2-sulfoethyl)amino]ethylsulfonyl]phenyl]diazenyl]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid
CID 135587762
sodium 5-amino-4-hydroxy-3-[(2-methoxyphenyl)diazenyl]-6-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid
CID 135422237
5-amino-4-hydroxy-3,6-bis[(4-methylsulfonylphenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;ethane
CID 136511089
4-amino-5-hydroxy-3-[[5-hydroxy-6-[(4-methoxy-2-sulfophenyl)diazenyl]-1,7-disulfonaphthalen-2-yl]diazenyl]-6-[[5-hydroxy-7-sulfo-6-[(2-sulfophenyl)diazenyl]naphthalen-2-yl]diazenyl]naphthalene-1,7-disulfonic acid
CID 136503003
ACID BLACK 41 (C.I. 20480)
CID 137228286
5-hydroxy-6-[[2-sulfo-4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid
CID 135992914
4-amino-6-[(2,5-dimethoxy-4-methylphenyl)diazenyl]-5-hydroxy-3-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid
CID 135978947
4-amino-3-[[4-[[4-[[8-amino-1-hydroxy-5-sulfo-7-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-3-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]phenyl]sulfamoyl]phenyl]diazenyl]-5-hydroxy-6-[(4-nitrophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid
CID 89317396

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-hydroxy-6-[[5-hydroxy-6-[(4-methoxy-2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-3-[[5-hydroxy-6-[[4-nitro-2-(trioxidanylsulfanyl)phenyl]diazenyl]-7-sulfonaphthalen-2-yl]diazenyl]-7-sulfinooxynaphthalene-2-sulfonic acid?
The IUPAC name of 4-amino-5-hydroxy-6-[[5-hydroxy-6-[(4-methoxy-2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-3-[[5-hydroxy-6-[[4-nitro-2-(trioxidanylsulfanyl)phenyl]diazenyl]-7-sulfonaphthalen-2-yl]diazenyl]-7-sulfinooxynaphthalene-2-sulfonic acid (CID 91867592) is 4-amino-5-hydroxy-6-[[5-hydroxy-6-[(4-methoxy-2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-3-[[5-hydroxy-6-[[4-nitro-2-(trioxidanylsulfanyl)phenyl]diazenyl]-7-sulfonaphthalen-2-yl]diazenyl]-7-sulfinooxynaphthalene-2-sulfonic acid.
What is the SMILES notation for 4-amino-5-hydroxy-6-[[5-hydroxy-6-[(4-methoxy-2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-3-[[5-hydroxy-6-[[4-nitro-2-(trioxidanylsulfanyl)phenyl]diazenyl]-7-sulfonaphthalen-2-yl]diazenyl]-7-sulfinooxynaphthalene-2-sulfonic acid?
The canonical SMILES for 4-amino-5-hydroxy-6-[[5-hydroxy-6-[(4-methoxy-2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-3-[[5-hydroxy-6-[[4-nitro-2-(trioxidanylsulfanyl)phenyl]diazenyl]-7-sulfonaphthalen-2-yl]diazenyl]-7-sulfinooxynaphthalene-2-sulfonic acid is COc1ccc(/N=N/c2c(SOOO)cc3cc(/N=N/c4c(OS(=O)O)cc5cc(S(=O)(=O)O)c(/N=N/c6ccc7c(O)c(/N=N/c8ccc([N+](=O)[O-])cc8SOOO)c(S(=O)(=O)O)cc7c6)c(N)c5c4O)ccc3c2O)c(S(=O)(=O)O)c1.
What is the InChIKey of 4-amino-5-hydroxy-6-[[5-hydroxy-6-[(4-methoxy-2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-3-[[5-hydroxy-6-[[4-nitro-2-(trioxidanylsulfanyl)phenyl]diazenyl]-7-sulfonaphthalen-2-yl]diazenyl]-7-sulfinooxynaphthalene-2-sulfonic acid?
The InChIKey is SCYIMFJWIAKFCF-RCARNIOCSA-N. The full InChI is InChI=1S/C43H30N10O24S6/c1-72-24-5-9-28(32(17-24)81(63,64)65)48-50-38-31(79-77-75-60)13-18-10-21(2-6-25(18)41(38)54)45-49-37-29(73-80(61)62)12-20-15-33(82(66,67)68)39(36(44)35(20)43(37)56)51-46-22-3-7-26-19(11-22)14-34(83(69,70)71)40(42(26)55)52-47-27-8-4-23(53(57)58)16-30(27)78-76-74-59/h2-17,54-56,59-60H,44H2,1H3,(H,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)/b49-45+,50-48+,51-46+,52-47+.
What are the key properties of 4-amino-5-hydroxy-6-[[5-hydroxy-6-[(4-methoxy-2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-3-[[5-hydroxy-6-[[4-nitro-2-(trioxidanylsulfanyl)phenyl]diazenyl]-7-sulfonaphthalen-2-yl]diazenyl]-7-sulfinooxynaphthalene-2-sulfonic acid?
4-amino-5-hydroxy-6-[[5-hydroxy-6-[(4-methoxy-2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-3-[[5-hydroxy-6-[[4-nitro-2-(trioxidanylsulfanyl)phenyl]diazenyl]-7-sulfonaphthalen-2-yl]diazenyl]-7-sulfinooxynaphthalene-2-sulfonic acid has a molecular weight of 1263.16 g/mol, XLogP of 11.54, 21 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-hydroxy-6-[[5-hydroxy-6-[(4-methoxy-2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-3-[[5-hydroxy-6-[[4-nitro-2-(trioxidanylsulfanyl)phenyl]diazenyl]-7-sulfonaphthalen-2-yl]diazenyl]-7-sulfinooxynaphthalene-2-sulfonic acid is sourced from PubChem (CID 91867592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).