4-amino-3-[[4-[[(3Z)-5-[(2,4-diaminophenyl)diazenyl]hexa-1,3,5-trien-2-yl]sulfamoyl]phenyl]diazenyl]-5-hydroxy-6-[[2-sulfo-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid

C36H34N10O18S6 — CID 143475751

About 4-amino-3-[[4-[[(3Z)-5-[(2,4-diaminophenyl)diazenyl]hexa-1,3,5-trien-2-yl]sulfamoyl]phenyl]diazenyl]-5-hydroxy-6-[[2-sulfo-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid

4-amino-3-[[4-[[(3Z)-5-[(2,4-diaminophenyl)diazenyl]hexa-1,3,5-trien-2-yl]sulfamoyl]phenyl]diazenyl]-5-hydroxy-6-[[2-sulfo-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid (PubChem CID 143475751) has the molecular formula C36H34N10O18S6 and a molecular weight of 1087.12 g/mol. Its IUPAC name is 4-amino-3-[[4-[[(3Z)-5-[(2,4-diaminophenyl)diazenyl]hexa-1,3,5-trien-2-yl]sulfamoyl]phenyl]diazenyl]-5-hydroxy-6-[[2-sulfo-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid.

Molecular Properties

• Compound Name: 4-amino-3-[[4-[[(3Z)-5-[(2,4-diaminophenyl)diazenyl]hexa-1,3,5-trien-2-yl]sulfamoyl]phenyl]diazenyl]-5-hydroxy-6-[[2-sulfo-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid
• PubChem CID: 143475751
• Molecular Formula: C36H34N10O18S6
• Molecular Weight: 1087.12 g/mol
• Exact Mass: 1086.04
• IUPAC Name: 4-amino-3-[[4-[[(3Z)-5-[(2,4-diaminophenyl)diazenyl]hexa-1,3,5-trien-2-yl]sulfamoyl]phenyl]diazenyl]-5-hydroxy-6-[[2-sulfo-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid
• SMILES: C=C(/C=C\C(=C)NS(=O)(=O)c1ccc(/N=N/c2cc(S(=O)(=O)O)c3cc(S(=O)(=O)O)c(/N=N/c4ccc(S(=O)(=O)CCOS(=O)(=O)O)cc4S(=O)(=O)O)c(O)c3c2N)cc1)/N=N/c1ccc(N)cc1N
• InChI: InChI=1S/C36H34N10O18S6/c1-19(40-42-27-11-5-21(37)15-26(27)38)3-4-20(2)46-66(50,51)23-8-6-22(7-9-23)41-44-29-18-30(67(52,53)54)25-17-32(69(58,59)60)35(36(47)33(25)34(29)39)45-43-28-12-10-24(16-31(28)68(55,56)57)65(48,49)14-13-64-70(61,62)63/h3-12,15-18,46-47H,1-2,13-14,37-39H2,(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)/b4-3-,42-40+,44-41+,45-43+
• InChIKey: IBVOPGCXWQPOBY-YOHNIIFISA-N
• XLogP: 5.10
• TPSA: 479.47 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 23
• Rotatable Bonds: 19
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1087.12
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	23

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': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[[4-[[(3Z)-5-[(2,4-diaminophenyl)diazenyl]hexa-1,3,5-trien-2-yl]sulfamoyl]phenyl]diazenyl]-5-hydroxy-6-[[2-sulfo-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid?

The IUPAC name of 4-amino-3-[[4-[[(3Z)-5-[(2,4-diaminophenyl)diazenyl]hexa-1,3,5-trien-2-yl]sulfamoyl]phenyl]diazenyl]-5-hydroxy-6-[[2-sulfo-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid (CID 143475751) is 4-amino-3-[[4-[[(3Z)-5-[(2,4-diaminophenyl)diazenyl]hexa-1,3,5-trien-2-yl]sulfamoyl]phenyl]diazenyl]-5-hydroxy-6-[[2-sulfo-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid.

What is the SMILES notation for 4-amino-3-[[4-[[(3Z)-5-[(2,4-diaminophenyl)diazenyl]hexa-1,3,5-trien-2-yl]sulfamoyl]phenyl]diazenyl]-5-hydroxy-6-[[2-sulfo-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid?

The canonical SMILES for 4-amino-3-[[4-[[(3Z)-5-[(2,4-diaminophenyl)diazenyl]hexa-1,3,5-trien-2-yl]sulfamoyl]phenyl]diazenyl]-5-hydroxy-6-[[2-sulfo-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid is C=C(/C=C\C(=C)NS(=O)(=O)c1ccc(/N=N/c2cc(S(=O)(=O)O)c3cc(S(=O)(=O)O)c(/N=N/c4ccc(S(=O)(=O)CCOS(=O)(=O)O)cc4S(=O)(=O)O)c(O)c3c2N)cc1)/N=N/c1ccc(N)cc1N.

What is the InChIKey of 4-amino-3-[[4-[[(3Z)-5-[(2,4-diaminophenyl)diazenyl]hexa-1,3,5-trien-2-yl]sulfamoyl]phenyl]diazenyl]-5-hydroxy-6-[[2-sulfo-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid?

The InChIKey is IBVOPGCXWQPOBY-YOHNIIFISA-N. The full InChI is InChI=1S/C36H34N10O18S6/c1-19(40-42-27-11-5-21(37)15-26(27)38)3-4-20(2)46-66(50,51)23-8-6-22(7-9-23)41-44-29-18-30(67(52,53)54)25-17-32(69(58,59)60)35(36(47)33(25)34(29)39)45-43-28-12-10-24(16-31(28)68(55,56)57)65(48,49)14-13-64-70(61,62)63/h3-12,15-18,46-47H,1-2,13-14,37-39H2,(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)/b4-3-,42-40+,44-41+,45-43+.

What are the key properties of 4-amino-3-[[4-[[(3Z)-5-[(2,4-diaminophenyl)diazenyl]hexa-1,3,5-trien-2-yl]sulfamoyl]phenyl]diazenyl]-5-hydroxy-6-[[2-sulfo-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid?

4-amino-3-[[4-[[(3Z)-5-[(2,4-diaminophenyl)diazenyl]hexa-1,3,5-trien-2-yl]sulfamoyl]phenyl]diazenyl]-5-hydroxy-6-[[2-sulfo-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid has a molecular weight of 1087.12 g/mol, XLogP of 5.10, 19 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-3-[[4-[[(3Z)-5-[(2,4-diaminophenyl)diazenyl]hexa-1,3,5-trien-2-yl]sulfamoyl]phenyl]diazenyl]-5-hydroxy-6-[[2-sulfo-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid is sourced from PubChem (CID 143475751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).