6-[[4-[[4-[[4-[[4-[(5,7-disulfonaphthalen-2-yl)diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]carbamoylamino]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]naphthalene-1,3-disulfonic acid

C61H64N10O29S8 — CID 134334872

IUPAC6-[[4-[[4-[[4-[[4-[(5,7-disulfonaphthalen-2-yl)diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]carbamoylamino]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]naphthalene-1,3-disulfonic acid
SMILESCc1cc(/N=N/c2cc(OCCCS(=O)(=O)O)c(NC(=O)Nc3cc(C)c(/N=N/c4cc(C)c(/N=N/c5ccc6c(S(=O)(=O)O)cc(S(=O)(=O)O)cc6c5)cc4OCCCS(=O)(=O)O)cc3OCCCS(=O)(=O)O)cc2C)c(OCCCS(=O)(=O)O)cc1/N=N/c1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2c1
InChIInChI=1S/C61H64N10O29S8/c1-35-21-51(55(97-13-5-17-101(73,74)75)31-49(35)68-70-53-23-37(3)47(33-57(53)99-15-7-19-103(79,80)81)66-64-41-9-11-45-39(25-41)27-43(105(85,86)87)29-59(45)107(91,92)93)62-61(72)63-52-22-36(2)50(32-56(52)98-14-6-18-102(76,77)78)69-71-54-24-38(4)48(34-58(54)100-16-8-20-104(82,83)84)67-65-42-10-12-46-40(26-42)28-44(106(88,89)90)30-60(46)108(94,95)96/h9-12,21-34H,5-8,13-20H2,1-4H3,(H2,62,63,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)(H,91,92,93)(H,94,95,96)/b66-64+,67-65+,70-68+,71-69+
InChIKeyHDFLWWVLOOVDHW-HQMKHLFISA-N
MW1657.76 g/mol
LogP12.15
Rot. Bonds34

About 6-[[4-[[4-[[4-[[4-[(5,7-disulfonaphthalen-2-yl)diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]carbamoylamino]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]naphthalene-1,3-disulfonic acid

6-[[4-[[4-[[4-[[4-[(5,7-disulfonaphthalen-2-yl)diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]carbamoylamino]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]naphthalene-1,3-disulfonic acid (PubChem CID 134334872) has the molecular formula C61H64N10O29S8 and a molecular weight of 1657.76 g/mol. Its IUPAC name is 6-[[4-[[4-[[4-[[4-[(5,7-disulfonaphthalen-2-yl)diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]carbamoylamino]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]naphthalene-1,3-disulfonic acid.

Molecular Properties

Compound Name6-[[4-[[4-[[4-[[4-[(5,7-disulfonaphthalen-2-yl)diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]carbamoylamino]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]naphthalene-1,3-disulfonic acid
PubChem CID134334872
Molecular FormulaC61H64N10O29S8
Molecular Weight1657.76 g/mol
Exact Mass1656.16
IUPAC Name6-[[4-[[4-[[4-[[4-[(5,7-disulfonaphthalen-2-yl)diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]carbamoylamino]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]naphthalene-1,3-disulfonic acid
SMILESCc1cc(/N=N/c2cc(OCCCS(=O)(=O)O)c(NC(=O)Nc3cc(C)c(/N=N/c4cc(C)c(/N=N/c5ccc6c(S(=O)(=O)O)cc(S(=O)(=O)O)cc6c5)cc4OCCCS(=O)(=O)O)cc3OCCCS(=O)(=O)O)cc2C)c(OCCCS(=O)(=O)O)cc1/N=N/c1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2c1
InChIInChI=1S/C61H64N10O29S8/c1-35-21-51(55(97-13-5-17-101(73,74)75)31-49(35)68-70-53-23-37(3)47(33-57(53)99-15-7-19-103(79,80)81)66-64-41-9-11-45-39(25-41)27-43(105(85,86)87)29-59(45)107(91,92)93)62-61(72)63-52-22-36(2)50(32-56(52)98-14-6-18-102(76,77)78)69-71-54-24-38(4)48(34-58(54)100-16-8-20-104(82,83)84)67-65-42-10-12-46-40(26-42)28-44(106(88,89)90)30-60(46)108(94,95)96/h9-12,21-34H,5-8,13-20H2,1-4H3,(H2,62,63,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)(H,91,92,93)(H,94,95,96)/b66-64+,67-65+,70-68+,71-69+
InChIKeyHDFLWWVLOOVDHW-HQMKHLFISA-N
XLogP12.15
TPSA611.89 Ų
H-Bond Donors10
H-Bond Acceptors29
Rotatable Bonds34
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001657.76
LogP ≤ 512.15
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze 6-[[4-[[4-[[4-[[4-[(5,7-disulfonaphthalen-2-yl)diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]carbamoylamino]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]naphthalene-1,3-disulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-[[4-[[4-[[4-[(2,4-disulfophenyl)diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]carbamoylamino]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]benzene-1,3-disulfonic acid
CID 134334870
4-[[4-[[4-[[4-[[4-[(2,4-disulfophenyl)diazenyl]-5-ethoxy-2-(3-sulfopropoxy)phenyl]diazenyl]-2,5-dimethylphenyl]carbamoylamino]-2,5-dimethylphenyl]diazenyl]-2-ethoxy-5-(3-sulfopropoxy)phenyl]diazenyl]benzene-1,3-disulfonic acid
CID 145189946
6-[[4-[[4-[(4-amino-2,5-dimethylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]-4-(4-sulfobutoxy)naphthalene-2-sulfonic acid
CID 145189836
7-[[4-[[4-[[4-[(4-amino-2,5-dimethylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]benzoyl]amino]-4-(3-sulfopropoxy)naphthalene-2-sulfonic acid
CID 144937665
3-[5-methoxy-2-[[4-[[5-methoxy-4-[[2-methoxy-4-[[4-[[4-methoxy-2-(3-sulfopropoxy)phenyl]diazenyl]-3-methylphenyl]diazenyl]-5-methylphenyl]carbamoylamino]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]phenoxy]propane-1-sulfonic acid
CID 145189934
7-[[4-[(4-aminobenzoyl)amino]-5-[2-[2-[2-[2-[(4-aminobenzoyl)amino]-5-[(6,8-disulfonaphthalen-2-yl)diazenyl]-4-methylphenoxy]ethoxy]ethoxy]ethoxy]-2-methylphenyl]diazenyl]naphthalene-1,3-disulfonic acid
CID 89274719
7-anilino-4-hydroxy-3-[[2-methoxy-5-methyl-4-[[5-methyl-2-(3-sulfopropoxy)-4-[[4-[[7-sulfo-5-(3-sulfopropoxy)naphthalen-2-yl]carbamoyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]naphthalene-2-sulfonic acid
CID 137194810
3-[6-[[4-[[4-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-2,5-dimethylphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]naphthalen-1-yl]oxypropane-1-sulfonic acid
CID 136960775
7-anilino-4-hydroxy-3-[[2-methoxy-5-methyl-4-[[4-[[7-sulfo-5-(3-sulfopropoxy)naphthalen-2-yl]carbamoyl]phenyl]diazenyl]phenyl]diazenyl]naphthalene-2-sulfonic acid
CID 137194770
3-[[4-[[4-[[6-[(4-aminobenzoyl)amino]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]-5-methoxy-2-methylphenyl]diazenyl]-2-methylbenzoyl]amino]-5-(3-sulfopropoxy)naphthalene-2,7-disulfonic acid
CID 137194763
4-[3-[[1-hydroxy-7-[[1-hydroxy-5-[[5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]diazenyl]-7-sulfonaphthalen-2-yl]diazenyl]-6-(methylamino)-3-sulfonaphthalen-2-yl]diazenyl]-3-sulfonaphthalen-2-yl]diazenyl]anilino]benzoic acid
CID 121389231
2-(6,8-disulfobenzo[e]benzotriazol-2-yl)-5-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)-3-sulfonaphthalen-2-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]benzoic acid
CID 137104106

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[[4-[[4-[[4-[(5,7-disulfonaphthalen-2-yl)diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]carbamoylamino]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]naphthalene-1,3-disulfonic acid?
The IUPAC name of 6-[[4-[[4-[[4-[[4-[(5,7-disulfonaphthalen-2-yl)diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]carbamoylamino]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]naphthalene-1,3-disulfonic acid (CID 134334872) is 6-[[4-[[4-[[4-[[4-[(5,7-disulfonaphthalen-2-yl)diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]carbamoylamino]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]naphthalene-1,3-disulfonic acid.
What is the SMILES notation for 6-[[4-[[4-[[4-[[4-[(5,7-disulfonaphthalen-2-yl)diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]carbamoylamino]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]naphthalene-1,3-disulfonic acid?
The canonical SMILES for 6-[[4-[[4-[[4-[[4-[(5,7-disulfonaphthalen-2-yl)diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]carbamoylamino]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]naphthalene-1,3-disulfonic acid is Cc1cc(/N=N/c2cc(OCCCS(=O)(=O)O)c(NC(=O)Nc3cc(C)c(/N=N/c4cc(C)c(/N=N/c5ccc6c(S(=O)(=O)O)cc(S(=O)(=O)O)cc6c5)cc4OCCCS(=O)(=O)O)cc3OCCCS(=O)(=O)O)cc2C)c(OCCCS(=O)(=O)O)cc1/N=N/c1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2c1.
What is the InChIKey of 6-[[4-[[4-[[4-[[4-[(5,7-disulfonaphthalen-2-yl)diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]carbamoylamino]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]naphthalene-1,3-disulfonic acid?
The InChIKey is HDFLWWVLOOVDHW-HQMKHLFISA-N. The full InChI is InChI=1S/C61H64N10O29S8/c1-35-21-51(55(97-13-5-17-101(73,74)75)31-49(35)68-70-53-23-37(3)47(33-57(53)99-15-7-19-103(79,80)81)66-64-41-9-11-45-39(25-41)27-43(105(85,86)87)29-59(45)107(91,92)93)62-61(72)63-52-22-36(2)50(32-56(52)98-14-6-18-102(76,77)78)69-71-54-24-38(4)48(34-58(54)100-16-8-20-104(82,83)84)67-65-42-10-12-46-40(26-42)28-44(106(88,89)90)30-60(46)108(94,95)96/h9-12,21-34H,5-8,13-20H2,1-4H3,(H2,62,63,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)(H,91,92,93)(H,94,95,96)/b66-64+,67-65+,70-68+,71-69+.
What are the key properties of 6-[[4-[[4-[[4-[[4-[(5,7-disulfonaphthalen-2-yl)diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]carbamoylamino]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]naphthalene-1,3-disulfonic acid?
6-[[4-[[4-[[4-[[4-[(5,7-disulfonaphthalen-2-yl)diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]carbamoylamino]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]naphthalene-1,3-disulfonic acid has a molecular weight of 1657.76 g/mol, XLogP of 12.15, 34 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[[4-[[4-[[4-[(5,7-disulfonaphthalen-2-yl)diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]carbamoylamino]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]naphthalene-1,3-disulfonic acid is sourced from PubChem (CID 134334872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).