5-[4-[2-[5-[2-[4-[2-[5-[2-[4-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxyphenyl]propan-2-yl]-2,4-dihydroxyphenyl]propan-2-yl]phenyl]propan-2-yl]-2,4-dihydroxyphenyl]propan-2-yl]phenoxy]sulfonyl-1-hydroxynaphthalene-2-diazonium

C62H56N4O12S2+2 — CID 101197148

About 5-[4-[2-[5-[2-[4-[2-[5-[2-[4-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxyphenyl]propan-2-yl]-2,4-dihydroxyphenyl]propan-2-yl]phenyl]propan-2-yl]-2,4-dihydroxyphenyl]propan-2-yl]phenoxy]sulfonyl-1-hydroxynaphthalene-2-diazonium

5-[4-[2-[5-[2-[4-[2-[5-[2-[4-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxyphenyl]propan-2-yl]-2,4-dihydroxyphenyl]propan-2-yl]phenyl]propan-2-yl]-2,4-dihydroxyphenyl]propan-2-yl]phenoxy]sulfonyl-1-hydroxynaphthalene-2-diazonium (PubChem CID 101197148) has the molecular formula C62H56N4O12S2+2 and a molecular weight of 1113.28 g/mol. Its IUPAC name is 5-[4-[2-[5-[2-[4-[2-[5-[2-[4-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxyphenyl]propan-2-yl]-2,4-dihydroxyphenyl]propan-2-yl]phenyl]propan-2-yl]-2,4-dihydroxyphenyl]propan-2-yl]phenoxy]sulfonyl-1-hydroxynaphthalene-2-diazonium.

Molecular Properties

• Compound Name: 5-[4-[2-[5-[2-[4-[2-[5-[2-[4-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxyphenyl]propan-2-yl]-2,4-dihydroxyphenyl]propan-2-yl]phenyl]propan-2-yl]-2,4-dihydroxyphenyl]propan-2-yl]phenoxy]sulfonyl-1-hydroxynaphthalene-2-diazonium
• PubChem CID: 101197148
• Molecular Formula: C62H56N4O12S2+2
• Molecular Weight: 1113.28 g/mol
• Exact Mass: 1112.33
• IUPAC Name: 5-[4-[2-[5-[2-[4-[2-[5-[2-[4-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxyphenyl]propan-2-yl]-2,4-dihydroxyphenyl]propan-2-yl]phenyl]propan-2-yl]-2,4-dihydroxyphenyl]propan-2-yl]phenoxy]sulfonyl-1-hydroxynaphthalene-2-diazonium
• SMILES: CC(C)(c1ccc(OS(=O)(=O)c2cccc3c(O)c([N+]#N)ccc23)cc1)c1cc(C(C)(C)c2ccc(C(C)(C)c3cc(C(C)(C)c4ccc(OS(=O)(=O)c5cccc6c(O)c([N+]#N)ccc56)cc4)c(O)cc3O)cc2)c(O)cc1O
• InChI: InChI=1S/C62H54N4O12S2/c1-59(2,45-31-47(53(69)33-51(45)67)61(5,6)37-19-23-39(24-20-37)77-79(73,74)55-13-9-11-43-41(55)27-29-49(65-63)57(43)71)35-15-17-36(18-16-35)60(3,4)46-32-48(54(70)34-52(46)68)62(7,8)38-21-25-40(26-22-38)78-80(75,76)56-14-10-12-44-42(56)28-30-50(66-64)58(44)72/h9-34H,1-8H3,(H4-2,67,68,69,70,71,72)/p+2
• InChIKey: KECLIOBVELVVFJ-UHFFFAOYSA-P
• XLogP: 14.03
• TPSA: 264.42 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1113.28
LogP ≤ 5	14.03
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-[5-[2-[4-[2-[5-[2-[4-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxyphenyl]propan-2-yl]-2,4-dihydroxyphenyl]propan-2-yl]phenyl]propan-2-yl]-2,4-dihydroxyphenyl]propan-2-yl]phenoxy]sulfonyl-1-hydroxynaphthalene-2-diazonium?

The IUPAC name of 5-[4-[2-[5-[2-[4-[2-[5-[2-[4-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxyphenyl]propan-2-yl]-2,4-dihydroxyphenyl]propan-2-yl]phenyl]propan-2-yl]-2,4-dihydroxyphenyl]propan-2-yl]phenoxy]sulfonyl-1-hydroxynaphthalene-2-diazonium (CID 101197148) is 5-[4-[2-[5-[2-[4-[2-[5-[2-[4-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxyphenyl]propan-2-yl]-2,4-dihydroxyphenyl]propan-2-yl]phenyl]propan-2-yl]-2,4-dihydroxyphenyl]propan-2-yl]phenoxy]sulfonyl-1-hydroxynaphthalene-2-diazonium.

What is the SMILES notation for 5-[4-[2-[5-[2-[4-[2-[5-[2-[4-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxyphenyl]propan-2-yl]-2,4-dihydroxyphenyl]propan-2-yl]phenyl]propan-2-yl]-2,4-dihydroxyphenyl]propan-2-yl]phenoxy]sulfonyl-1-hydroxynaphthalene-2-diazonium?

The canonical SMILES for 5-[4-[2-[5-[2-[4-[2-[5-[2-[4-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxyphenyl]propan-2-yl]-2,4-dihydroxyphenyl]propan-2-yl]phenyl]propan-2-yl]-2,4-dihydroxyphenyl]propan-2-yl]phenoxy]sulfonyl-1-hydroxynaphthalene-2-diazonium is CC(C)(c1ccc(OS(=O)(=O)c2cccc3c(O)c([N+]#N)ccc23)cc1)c1cc(C(C)(C)c2ccc(C(C)(C)c3cc(C(C)(C)c4ccc(OS(=O)(=O)c5cccc6c(O)c([N+]#N)ccc56)cc4)c(O)cc3O)cc2)c(O)cc1O.

What is the InChIKey of 5-[4-[2-[5-[2-[4-[2-[5-[2-[4-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxyphenyl]propan-2-yl]-2,4-dihydroxyphenyl]propan-2-yl]phenyl]propan-2-yl]-2,4-dihydroxyphenyl]propan-2-yl]phenoxy]sulfonyl-1-hydroxynaphthalene-2-diazonium?

The InChIKey is KECLIOBVELVVFJ-UHFFFAOYSA-P. The full InChI is InChI=1S/C62H54N4O12S2/c1-59(2,45-31-47(53(69)33-51(45)67)61(5,6)37-19-23-39(24-20-37)77-79(73,74)55-13-9-11-43-41(55)27-29-49(65-63)57(43)71)35-15-17-36(18-16-35)60(3,4)46-32-48(54(70)34-52(46)68)62(7,8)38-21-25-40(26-22-38)78-80(75,76)56-14-10-12-44-42(56)28-30-50(66-64)58(44)72/h9-34H,1-8H3,(H4-2,67,68,69,70,71,72)/p+2.

What are the key properties of 5-[4-[2-[5-[2-[4-[2-[5-[2-[4-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxyphenyl]propan-2-yl]-2,4-dihydroxyphenyl]propan-2-yl]phenyl]propan-2-yl]-2,4-dihydroxyphenyl]propan-2-yl]phenoxy]sulfonyl-1-hydroxynaphthalene-2-diazonium?

5-[4-[2-[5-[2-[4-[2-[5-[2-[4-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxyphenyl]propan-2-yl]-2,4-dihydroxyphenyl]propan-2-yl]phenyl]propan-2-yl]-2,4-dihydroxyphenyl]propan-2-yl]phenoxy]sulfonyl-1-hydroxynaphthalene-2-diazonium has a molecular weight of 1113.28 g/mol, XLogP of 14.03, 14 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[2-[5-[2-[4-[2-[5-[2-[4-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxyphenyl]propan-2-yl]-2,4-dihydroxyphenyl]propan-2-yl]phenyl]propan-2-yl]-2,4-dihydroxyphenyl]propan-2-yl]phenoxy]sulfonyl-1-hydroxynaphthalene-2-diazonium is sourced from PubChem (CID 101197148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).