6-hydroxy-5-[[4-[1-[4-[(4-hydroxyphenyl)diazenyl]phenyl]cyclohexyl]phenyl]diazenyl]-4-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;[3-methoxy-4-[(4-methoxyphenyl)diazenyl]phenyl]-[3-(trioxidanylsulfanyl)phenyl]diazene;(4-methoxyphenyl)-[4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazene

C73H64N12O17S4 — CID 161041598

IUPAC6-hydroxy-5-[[4-[1-[4-[(4-hydroxyphenyl)diazenyl]phenyl]cyclohexyl]phenyl]diazenyl]-4-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;[3-methoxy-4-[(4-methoxyphenyl)diazenyl]phenyl]-[3-(trioxidanylsulfanyl)phenyl]diazene;(4-methoxyphenyl)-[4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazene
SMILESCOc1ccc(/N=N/c2ccc(/N=N/c3ccc(SOOO)cc3)cc2)cc1.COc1ccc(/N=N/c2ccc(/N=N/c3cccc(SOOO)c3)cc2OC)cc1.O=S(=O)(O)c1cc(SOOO)c2c(/N=N/c3ccc(C4(c5ccc(/N=N/c6ccc(O)cc6)cc5)CCCCC4)cc3)c(O)ccc2c1
InChIInChI=1S/C34H30N4O8S2.C20H18N4O5S.C19H16N4O4S/c39-28-15-13-27(14-16-28)36-35-25-9-5-23(6-10-25)34(18-2-1-3-19-34)24-7-11-26(12-8-24)37-38-33-30(40)17-4-22-20-29(48(42,43)44)21-31(32(22)33)47-46-45-41;1-26-17-9-6-14(7-10-17)21-24-19-11-8-16(13-20(19)27-2)23-22-15-4-3-5-18(12-15)30-29-28-25;1-25-18-10-6-16(7-11-18)22-20-14-2-4-15(5-3-14)21-23-17-8-12-19(13-9-17)28-27-26-24/h4-17,20-21,39-41H,1-3,18-19H2,(H,42,43,44);3-13,25H,1-2H3;2-13,24H,1H3/b36-35+,38-37+;23-22+,24-21+;22-20+,23-21+
InChIKeyUAYLJXLBCJSSLU-CFOTZYAUSA-N
MW1509.65 g/mol
LogP23.92
Rot. Bonds27

About 6-hydroxy-5-[[4-[1-[4-[(4-hydroxyphenyl)diazenyl]phenyl]cyclohexyl]phenyl]diazenyl]-4-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;[3-methoxy-4-[(4-methoxyphenyl)diazenyl]phenyl]-[3-(trioxidanylsulfanyl)phenyl]diazene;(4-methoxyphenyl)-[4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazene

6-hydroxy-5-[[4-[1-[4-[(4-hydroxyphenyl)diazenyl]phenyl]cyclohexyl]phenyl]diazenyl]-4-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;[3-methoxy-4-[(4-methoxyphenyl)diazenyl]phenyl]-[3-(trioxidanylsulfanyl)phenyl]diazene;(4-methoxyphenyl)-[4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazene (PubChem CID 161041598) has the molecular formula C73H64N12O17S4 and a molecular weight of 1509.65 g/mol. Its IUPAC name is 6-hydroxy-5-[[4-[1-[4-[(4-hydroxyphenyl)diazenyl]phenyl]cyclohexyl]phenyl]diazenyl]-4-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;[3-methoxy-4-[(4-methoxyphenyl)diazenyl]phenyl]-[3-(trioxidanylsulfanyl)phenyl]diazene;(4-methoxyphenyl)-[4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazene.

Molecular Properties

Compound Name6-hydroxy-5-[[4-[1-[4-[(4-hydroxyphenyl)diazenyl]phenyl]cyclohexyl]phenyl]diazenyl]-4-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;[3-methoxy-4-[(4-methoxyphenyl)diazenyl]phenyl]-[3-(trioxidanylsulfanyl)phenyl]diazene;(4-methoxyphenyl)-[4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazene
PubChem CID161041598
Molecular FormulaC73H64N12O17S4
Molecular Weight1509.65 g/mol
Exact Mass1508.34
IUPAC Name6-hydroxy-5-[[4-[1-[4-[(4-hydroxyphenyl)diazenyl]phenyl]cyclohexyl]phenyl]diazenyl]-4-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;[3-methoxy-4-[(4-methoxyphenyl)diazenyl]phenyl]-[3-(trioxidanylsulfanyl)phenyl]diazene;(4-methoxyphenyl)-[4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazene
SMILESCOc1ccc(/N=N/c2ccc(/N=N/c3ccc(SOOO)cc3)cc2)cc1.COc1ccc(/N=N/c2ccc(/N=N/c3cccc(SOOO)c3)cc2OC)cc1.O=S(=O)(O)c1cc(SOOO)c2c(/N=N/c3ccc(C4(c5ccc(/N=N/c6ccc(O)cc6)cc5)CCCCC4)cc3)c(O)ccc2c1
InChIInChI=1S/C34H30N4O8S2.C20H18N4O5S.C19H16N4O4S/c39-28-15-13-27(14-16-28)36-35-25-9-5-23(6-10-25)34(18-2-1-3-19-34)24-7-11-26(12-8-24)37-38-33-30(40)17-4-22-20-29(48(42,43)44)21-31(32(22)33)47-46-45-41;1-26-17-9-6-14(7-10-17)21-24-19-11-8-16(13-20(19)27-2)23-22-15-4-3-5-18(12-15)30-29-28-25;1-25-18-10-6-16(7-11-18)22-20-14-2-4-15(5-3-14)21-23-17-8-12-19(13-9-17)28-27-26-24/h4-17,20-21,39-41H,1-3,18-19H2,(H,42,43,44);3-13,25H,1-2H3;2-13,24H,1H3/b36-35+,38-37+;23-22+,24-21+;22-20+,23-21+
InChIKeyUAYLJXLBCJSSLU-CFOTZYAUSA-N
XLogP23.92
TPSA386.91 Ų
H-Bond Donors6
H-Bond Acceptors31
Rotatable Bonds27
Heavy Atoms106
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001509.65
LogP ≤ 523.92
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 6-hydroxy-5-[[4-[1-[4-[(4-hydroxyphenyl)diazenyl]phenyl]cyclohexyl]phenyl]diazenyl]-4-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;[3-methoxy-4-[(4-methoxyphenyl)diazenyl]phenyl]-[3-(trioxidanylsulfanyl)phenyl]diazene;(4-methoxyphenyl)-[4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazene with MolForge

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Related Compounds

5-hydroxy-6-[[2-sulfo-4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid
CID 135992914
4-amino-6-[(4-amino-2-methoxyphenyl)diazenyl]-5-hydroxy-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid
CID 135612229
6-hydroxy-5-methyl-4-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid
CID 20736961
CID 170841644
CID 170841644
trilithium;4-[[4-amino-6-[[5-hydroxy-6-[[2-methoxy-4-[[4-[[2-methoxy-4-[[3-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]-3-methylphenyl]diazenyl]-5-methylphenyl]diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]amino]-1,3,5-triazin-2-yl]amino]benzenesulfonic acid;3-[[4-(2,3-dihydroxypropylamino)-6-[[5-hydroxy-6-[[2-methoxy-4-[[2-methoxy-5-methyl-4-[(4-oxidoperoxysulfanylphenyl)diazenyl]phenyl]diazenyl]-5-methylphenyl]diazenyl]-7-oxidoperoxysulfanylnaphthalen-2-yl]amino]-1,3,5-triazin-2-yl]amino]benzenesulfonate;3-[[4-hydroxy-6-[[5-hydroxy-6-[[2-methoxy-4-[[2-methoxy-5-methyl-4-[[4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-5-methylphenyl]diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]amino]-1,3,5-triazin-2-yl]amino]benzenesulfonic acid
CID 161144892
7-[[5-hydroxy-4-[[1-hydroxy-6-[(4-hydroxyphenyl)diazenyl]-3-sulfonaphthalen-2-yl]diazenyl]-2-methoxyphenyl]diazenyl]naphthalene-1,3-disulfonic acid
CID 137280020
sodium 6-hydroxy-5-[(2-methoxyphenyl)diazenyl]naphthalene-2-sulfonic acid
CID 135421994
disodium 8-{[4-(cyclohexyl{4-[(4-hydroxyphenyl)diazenyl]phenyl}methyl)phenyl]diazenyl}-7-hydroxy-1,3-naphthalenedisulfonate
CID 137228306
2-[[2-hydroxy-5-methoxy-4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]-6-(methylamino)-3-(trioxidanylsulfanyl)naphthalen-1-ol
CID 135992795
3-[[4-[[4-[2-hydroxyethyl(methyl)amino]-6-[2-methoxy-4-[[3-(trioxidanylsulfanyl)phenyl]diazenyl]anilino]-1,3,5-triazin-2-yl]amino]-3-methoxyphenyl]diazenyl]benzenesulfonic acid
CID 23579577
sodium 5-hydroxy-6-[[2-methoxy-4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid
CID 135422209
5-[[4-[1-[4-[(2,8-dihydroxy-5-sulfonaphthalen-1-yl)diazenyl]-3-methylphenyl]cyclohexyl]-2-methylphenyl]diazenyl]-4,6-dihydroxynaphthalene-1-sulfonic acid
CID 136818470

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[[4-[1-[4-[(4-hydroxyphenyl)diazenyl]phenyl]cyclohexyl]phenyl]diazenyl]-4-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;[3-methoxy-4-[(4-methoxyphenyl)diazenyl]phenyl]-[3-(trioxidanylsulfanyl)phenyl]diazene;(4-methoxyphenyl)-[4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazene?
The IUPAC name of 6-hydroxy-5-[[4-[1-[4-[(4-hydroxyphenyl)diazenyl]phenyl]cyclohexyl]phenyl]diazenyl]-4-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;[3-methoxy-4-[(4-methoxyphenyl)diazenyl]phenyl]-[3-(trioxidanylsulfanyl)phenyl]diazene;(4-methoxyphenyl)-[4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazene (CID 161041598) is 6-hydroxy-5-[[4-[1-[4-[(4-hydroxyphenyl)diazenyl]phenyl]cyclohexyl]phenyl]diazenyl]-4-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;[3-methoxy-4-[(4-methoxyphenyl)diazenyl]phenyl]-[3-(trioxidanylsulfanyl)phenyl]diazene;(4-methoxyphenyl)-[4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazene.
What is the SMILES notation for 6-hydroxy-5-[[4-[1-[4-[(4-hydroxyphenyl)diazenyl]phenyl]cyclohexyl]phenyl]diazenyl]-4-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;[3-methoxy-4-[(4-methoxyphenyl)diazenyl]phenyl]-[3-(trioxidanylsulfanyl)phenyl]diazene;(4-methoxyphenyl)-[4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazene?
The canonical SMILES for 6-hydroxy-5-[[4-[1-[4-[(4-hydroxyphenyl)diazenyl]phenyl]cyclohexyl]phenyl]diazenyl]-4-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;[3-methoxy-4-[(4-methoxyphenyl)diazenyl]phenyl]-[3-(trioxidanylsulfanyl)phenyl]diazene;(4-methoxyphenyl)-[4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazene is COc1ccc(/N=N/c2ccc(/N=N/c3ccc(SOOO)cc3)cc2)cc1.COc1ccc(/N=N/c2ccc(/N=N/c3cccc(SOOO)c3)cc2OC)cc1.O=S(=O)(O)c1cc(SOOO)c2c(/N=N/c3ccc(C4(c5ccc(/N=N/c6ccc(O)cc6)cc5)CCCCC4)cc3)c(O)ccc2c1.
What is the InChIKey of 6-hydroxy-5-[[4-[1-[4-[(4-hydroxyphenyl)diazenyl]phenyl]cyclohexyl]phenyl]diazenyl]-4-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;[3-methoxy-4-[(4-methoxyphenyl)diazenyl]phenyl]-[3-(trioxidanylsulfanyl)phenyl]diazene;(4-methoxyphenyl)-[4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazene?
The InChIKey is UAYLJXLBCJSSLU-CFOTZYAUSA-N. The full InChI is InChI=1S/C34H30N4O8S2.C20H18N4O5S.C19H16N4O4S/c39-28-15-13-27(14-16-28)36-35-25-9-5-23(6-10-25)34(18-2-1-3-19-34)24-7-11-26(12-8-24)37-38-33-30(40)17-4-22-20-29(48(42,43)44)21-31(32(22)33)47-46-45-41;1-26-17-9-6-14(7-10-17)21-24-19-11-8-16(13-20(19)27-2)23-22-15-4-3-5-18(12-15)30-29-28-25;1-25-18-10-6-16(7-11-18)22-20-14-2-4-15(5-3-14)21-23-17-8-12-19(13-9-17)28-27-26-24/h4-17,20-21,39-41H,1-3,18-19H2,(H,42,43,44);3-13,25H,1-2H3;2-13,24H,1H3/b36-35+,38-37+;23-22+,24-21+;22-20+,23-21+.
What are the key properties of 6-hydroxy-5-[[4-[1-[4-[(4-hydroxyphenyl)diazenyl]phenyl]cyclohexyl]phenyl]diazenyl]-4-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;[3-methoxy-4-[(4-methoxyphenyl)diazenyl]phenyl]-[3-(trioxidanylsulfanyl)phenyl]diazene;(4-methoxyphenyl)-[4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazene?
6-hydroxy-5-[[4-[1-[4-[(4-hydroxyphenyl)diazenyl]phenyl]cyclohexyl]phenyl]diazenyl]-4-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;[3-methoxy-4-[(4-methoxyphenyl)diazenyl]phenyl]-[3-(trioxidanylsulfanyl)phenyl]diazene;(4-methoxyphenyl)-[4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazene has a molecular weight of 1509.65 g/mol, XLogP of 23.92, 27 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[[4-[1-[4-[(4-hydroxyphenyl)diazenyl]phenyl]cyclohexyl]phenyl]diazenyl]-4-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;[3-methoxy-4-[(4-methoxyphenyl)diazenyl]phenyl]-[3-(trioxidanylsulfanyl)phenyl]diazene;(4-methoxyphenyl)-[4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazene is sourced from PubChem (CID 161041598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).