4-amino-6-[[6-[(3-formyloxy-4-hydroxyphenyl)diazenyl]-5-hydroxy-1-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-3-[[8-hydroxy-6-sulfo-7-[(4-sulfophenyl)diazenyl]naphthalen-2-yl]diazenyl]naphthalene-2-sulfonic acid

C43H29N9O18S4 — CID 137093244

IUPAC4-amino-6-[[6-[(3-formyloxy-4-hydroxyphenyl)diazenyl]-5-hydroxy-1-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-3-[[8-hydroxy-6-sulfo-7-[(4-sulfophenyl)diazenyl]naphthalen-2-yl]diazenyl]naphthalene-2-sulfonic acid
SMILESNc1c(/N=N/c2ccc3cc(S(=O)(=O)O)c(/N=N/c4ccc(S(=O)(=O)O)cc4)c(O)c3c2)c(S(=O)(=O)O)cc2ccc(/N=N/c3ccc4c(O)c(/N=N/c5ccc(O)c(OC=O)c5)ccc4c3S(=O)(=O)O)c(O)c12
InChIInChI=1S/C43H29N9O18S4/c44-37-36-21(2-11-30(42(36)57)49-50-31-13-9-26-27(43(31)74(67,68)69)10-12-29(40(26)55)48-46-24-6-14-32(54)33(18-24)70-19-53)16-34(72(61,62)63)38(37)51-47-23-3-1-20-15-35(73(64,65)66)39(41(56)28(20)17-23)52-45-22-4-7-25(8-5-22)71(58,59)60/h1-19,54-57H,44H2,(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)/b48-46+,50-49+,51-47+,52-45+
InChIKeyFOMPJZGOVDYGER-ULMWOLHBSA-N
MW1088.02 g/mol
LogP9.73
Rot. Bonds14

About 4-amino-6-[[6-[(3-formyloxy-4-hydroxyphenyl)diazenyl]-5-hydroxy-1-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-3-[[8-hydroxy-6-sulfo-7-[(4-sulfophenyl)diazenyl]naphthalen-2-yl]diazenyl]naphthalene-2-sulfonic acid

4-amino-6-[[6-[(3-formyloxy-4-hydroxyphenyl)diazenyl]-5-hydroxy-1-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-3-[[8-hydroxy-6-sulfo-7-[(4-sulfophenyl)diazenyl]naphthalen-2-yl]diazenyl]naphthalene-2-sulfonic acid (PubChem CID 137093244) has the molecular formula C43H29N9O18S4 and a molecular weight of 1088.02 g/mol. Its IUPAC name is 4-amino-6-[[6-[(3-formyloxy-4-hydroxyphenyl)diazenyl]-5-hydroxy-1-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-3-[[8-hydroxy-6-sulfo-7-[(4-sulfophenyl)diazenyl]naphthalen-2-yl]diazenyl]naphthalene-2-sulfonic acid.

Molecular Properties

Compound Name4-amino-6-[[6-[(3-formyloxy-4-hydroxyphenyl)diazenyl]-5-hydroxy-1-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-3-[[8-hydroxy-6-sulfo-7-[(4-sulfophenyl)diazenyl]naphthalen-2-yl]diazenyl]naphthalene-2-sulfonic acid
PubChem CID137093244
Molecular FormulaC43H29N9O18S4
Molecular Weight1088.02 g/mol
Exact Mass1087.05
IUPAC Name4-amino-6-[[6-[(3-formyloxy-4-hydroxyphenyl)diazenyl]-5-hydroxy-1-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-3-[[8-hydroxy-6-sulfo-7-[(4-sulfophenyl)diazenyl]naphthalen-2-yl]diazenyl]naphthalene-2-sulfonic acid
SMILESNc1c(/N=N/c2ccc3cc(S(=O)(=O)O)c(/N=N/c4ccc(S(=O)(=O)O)cc4)c(O)c3c2)c(S(=O)(=O)O)cc2ccc(/N=N/c3ccc4c(O)c(/N=N/c5ccc(O)c(OC=O)c5)ccc4c3S(=O)(=O)O)c(O)c12
InChIInChI=1S/C43H29N9O18S4/c44-37-36-21(2-11-30(42(36)57)49-50-31-13-9-26-27(43(31)74(67,68)69)10-12-29(40(26)55)48-46-24-6-14-32(54)33(18-24)70-19-53)16-34(72(61,62)63)38(37)51-47-23-3-1-20-15-35(73(64,65)66)39(41(56)28(20)17-23)52-45-22-4-7-25(8-5-22)71(58,59)60/h1-19,54-57H,44H2,(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)/b48-46+,50-49+,51-47+,52-45+
InChIKeyFOMPJZGOVDYGER-ULMWOLHBSA-N
XLogP9.73
TPSA449.60 Ų
H-Bond Donors9
H-Bond Acceptors23
Rotatable Bonds14
Heavy Atoms74
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001088.02
LogP ≤ 59.73
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 4-amino-6-[[6-[(3-formyloxy-4-hydroxyphenyl)diazenyl]-5-hydroxy-1-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-3-[[8-hydroxy-6-sulfo-7-[(4-sulfophenyl)diazenyl]naphthalen-2-yl]diazenyl]naphthalene-2-sulfonic acid with MolForge

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Related Compounds

4-amino-3-[[4-[(4-amino-2-hydroxyphenyl)diazenyl]phenyl]diazenyl]-5-hydroxy-6-[(4-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid
CID 135853970
4-amino-5-hydroxy-6-[[5-hydroxy-6-[[4-(hydroxymethyl)-2-sulfophenyl]diazenyl]naphthalen-2-yl]diazenyl]-3-[[8-hydroxy-6-sulfo-7-[(3-sulfophenyl)diazenyl]naphthalen-2-yl]diazenyl]naphthalene-2-sulfonic acid;tris(sulfur trioxide)
CID 159104178
4-amino-5-hydroxy-3,6-bis[[8-hydroxy-6-sulfo-7-[(2-sulfophenyl)diazenyl]naphthalen-2-yl]diazenyl]naphthalene-2,7-disulfonic acid
CID 136503002
6-[(2,4-diaminophenyl)diazenyl]-3-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
CID 136917429
2-[(1-amino-8-hydroxy-7-phenyldiazenyl-4-sulfonaphthalen-2-yl)diazenyl]-5-hydroxy-6-[(4-phenyldiazenylphenyl)diazenyl]naphthalene-1,7-disulfonic acid
CID 137130409
6-amino-4-hydroxy-3-[[4-[(4-phenyldiazenyl-6-sulfonaphthalen-1-yl)diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]naphthalene-2-sulfonic acid
CID 4189029
5-[[4-[4-[[4-[(7-amino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoic acid
CID 135565243
6-amino-4-hydroxy-3-[[4-[(4-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-2,7-disulfonic acid
CID 135627073
CID 137180855
CID 137180855
6-amino-4-hydroxy-3-[[4-[[2-methoxy-4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-3-methylphenyl]diazenyl]naphthalene-2,7-disulfonic acid
CID 136646691
4-amino-5-hydroxy-3,6-bis[[5-hydroxy-6-[(4-methylsulfonylphenyl)diazenyl]-1,7-disulfonaphthalen-2-yl]diazenyl]naphthalene-1,7-disulfonic acid
CID 136621098
4-[[4-[(7-amino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]benzoic acid
CID 136743149

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[[6-[(3-formyloxy-4-hydroxyphenyl)diazenyl]-5-hydroxy-1-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-3-[[8-hydroxy-6-sulfo-7-[(4-sulfophenyl)diazenyl]naphthalen-2-yl]diazenyl]naphthalene-2-sulfonic acid?
The IUPAC name of 4-amino-6-[[6-[(3-formyloxy-4-hydroxyphenyl)diazenyl]-5-hydroxy-1-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-3-[[8-hydroxy-6-sulfo-7-[(4-sulfophenyl)diazenyl]naphthalen-2-yl]diazenyl]naphthalene-2-sulfonic acid (CID 137093244) is 4-amino-6-[[6-[(3-formyloxy-4-hydroxyphenyl)diazenyl]-5-hydroxy-1-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-3-[[8-hydroxy-6-sulfo-7-[(4-sulfophenyl)diazenyl]naphthalen-2-yl]diazenyl]naphthalene-2-sulfonic acid.
What is the SMILES notation for 4-amino-6-[[6-[(3-formyloxy-4-hydroxyphenyl)diazenyl]-5-hydroxy-1-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-3-[[8-hydroxy-6-sulfo-7-[(4-sulfophenyl)diazenyl]naphthalen-2-yl]diazenyl]naphthalene-2-sulfonic acid?
The canonical SMILES for 4-amino-6-[[6-[(3-formyloxy-4-hydroxyphenyl)diazenyl]-5-hydroxy-1-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-3-[[8-hydroxy-6-sulfo-7-[(4-sulfophenyl)diazenyl]naphthalen-2-yl]diazenyl]naphthalene-2-sulfonic acid is Nc1c(/N=N/c2ccc3cc(S(=O)(=O)O)c(/N=N/c4ccc(S(=O)(=O)O)cc4)c(O)c3c2)c(S(=O)(=O)O)cc2ccc(/N=N/c3ccc4c(O)c(/N=N/c5ccc(O)c(OC=O)c5)ccc4c3S(=O)(=O)O)c(O)c12.
What is the InChIKey of 4-amino-6-[[6-[(3-formyloxy-4-hydroxyphenyl)diazenyl]-5-hydroxy-1-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-3-[[8-hydroxy-6-sulfo-7-[(4-sulfophenyl)diazenyl]naphthalen-2-yl]diazenyl]naphthalene-2-sulfonic acid?
The InChIKey is FOMPJZGOVDYGER-ULMWOLHBSA-N. The full InChI is InChI=1S/C43H29N9O18S4/c44-37-36-21(2-11-30(42(36)57)49-50-31-13-9-26-27(43(31)74(67,68)69)10-12-29(40(26)55)48-46-24-6-14-32(54)33(18-24)70-19-53)16-34(72(61,62)63)38(37)51-47-23-3-1-20-15-35(73(64,65)66)39(41(56)28(20)17-23)52-45-22-4-7-25(8-5-22)71(58,59)60/h1-19,54-57H,44H2,(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)/b48-46+,50-49+,51-47+,52-45+.
What are the key properties of 4-amino-6-[[6-[(3-formyloxy-4-hydroxyphenyl)diazenyl]-5-hydroxy-1-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-3-[[8-hydroxy-6-sulfo-7-[(4-sulfophenyl)diazenyl]naphthalen-2-yl]diazenyl]naphthalene-2-sulfonic acid?
4-amino-6-[[6-[(3-formyloxy-4-hydroxyphenyl)diazenyl]-5-hydroxy-1-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-3-[[8-hydroxy-6-sulfo-7-[(4-sulfophenyl)diazenyl]naphthalen-2-yl]diazenyl]naphthalene-2-sulfonic acid has a molecular weight of 1088.02 g/mol, XLogP of 9.73, 14 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[[6-[(3-formyloxy-4-hydroxyphenyl)diazenyl]-5-hydroxy-1-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-3-[[8-hydroxy-6-sulfo-7-[(4-sulfophenyl)diazenyl]naphthalen-2-yl]diazenyl]naphthalene-2-sulfonic acid is sourced from PubChem (CID 137093244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).