1-amino-4-[[1-[3-[3-[3-[4-[(4-amino-3-hydroxynaphthalen-1-yl)diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]naphthalen-2-ol;3-amino-4-[[1-[3-[3-[3-[4-[(2-amino-3-hydroxynaphthalen-1-yl)diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]naphthalen-2-ol

C78H78N20O4+6 — CID 158615469

IUPAC1-amino-4-[[1-[3-[3-[3-[4-[(4-amino-3-hydroxynaphthalen-1-yl)diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]naphthalen-2-ol;3-amino-4-[[1-[3-[3-[3-[4-[(2-amino-3-hydroxynaphthalen-1-yl)diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]naphthalen-2-ol
SMILESNc1c(O)cc(/N=N/c2cc[n+](CCCn3cc[n+](CCC[n+]4ccc(/N=N/c5cc(O)c(N)c6ccccc56)cc4)c3)cc2)c2ccccc12.Nc1c(O)cc2ccccc2c1/N=N/c1cc[n+](CCCn2cc[n+](CCC[n+]3ccc(/N=N/c4c(N)c(O)cc5ccccc45)cc3)c2)cc1
InChIInChI=1S/2C39H36N10O2/c40-38-32-9-3-1-7-30(32)34(25-36(38)50)44-42-28-11-19-46(20-12-28)15-5-17-48-23-24-49(27-48)18-6-16-47-21-13-29(14-22-47)43-45-35-26-37(51)39(41)33-10-4-2-8-31(33)35;40-36-34(50)25-28-7-1-3-9-32(28)38(36)44-42-30-11-19-46(20-12-30)15-5-17-48-23-24-49(27-48)18-6-16-47-21-13-31(14-22-47)43-45-39-33-10-4-2-8-29(33)26-35(51)37(39)41/h2*1-4,7-14,19-27,40-41H,5-6,15-18H2,(H-,44,45,50,51)/p+6
InChIKeyHXIJBIKVAIXAIN-UHFFFAOYSA-T
MW1359.62 g/mol
LogP14.49
Rot. Bonds24

About 1-amino-4-[[1-[3-[3-[3-[4-[(4-amino-3-hydroxynaphthalen-1-yl)diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]naphthalen-2-ol;3-amino-4-[[1-[3-[3-[3-[4-[(2-amino-3-hydroxynaphthalen-1-yl)diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]naphthalen-2-ol

1-amino-4-[[1-[3-[3-[3-[4-[(4-amino-3-hydroxynaphthalen-1-yl)diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]naphthalen-2-ol;3-amino-4-[[1-[3-[3-[3-[4-[(2-amino-3-hydroxynaphthalen-1-yl)diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]naphthalen-2-ol (PubChem CID 158615469) has the molecular formula C78H78N20O4+6 and a molecular weight of 1359.62 g/mol. Its IUPAC name is 1-amino-4-[[1-[3-[3-[3-[4-[(4-amino-3-hydroxynaphthalen-1-yl)diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]naphthalen-2-ol;3-amino-4-[[1-[3-[3-[3-[4-[(2-amino-3-hydroxynaphthalen-1-yl)diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-amino-4-[[1-[3-[3-[3-[4-[(4-amino-3-hydroxynaphthalen-1-yl)diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]naphthalen-2-ol;3-amino-4-[[1-[3-[3-[3-[4-[(2-amino-3-hydroxynaphthalen-1-yl)diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]naphthalen-2-ol
PubChem CID158615469
Molecular FormulaC78H78N20O4+6
Molecular Weight1359.62 g/mol
Exact Mass1358.65
IUPAC Name1-amino-4-[[1-[3-[3-[3-[4-[(4-amino-3-hydroxynaphthalen-1-yl)diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]naphthalen-2-ol;3-amino-4-[[1-[3-[3-[3-[4-[(2-amino-3-hydroxynaphthalen-1-yl)diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]naphthalen-2-ol
SMILESNc1c(O)cc(/N=N/c2cc[n+](CCCn3cc[n+](CCC[n+]4ccc(/N=N/c5cc(O)c(N)c6ccccc56)cc4)c3)cc2)c2ccccc12.Nc1c(O)cc2ccccc2c1/N=N/c1cc[n+](CCCn2cc[n+](CCC[n+]3ccc(/N=N/c4c(N)c(O)cc5ccccc45)cc3)c2)cc1
InChIInChI=1S/2C39H36N10O2/c40-38-32-9-3-1-7-30(32)34(25-36(38)50)44-42-28-11-19-46(20-12-28)15-5-17-48-23-24-49(27-48)18-6-16-47-21-13-29(14-22-47)43-45-35-26-37(51)39(41)33-10-4-2-8-31(33)35;40-36-34(50)25-28-7-1-3-9-32(28)38(36)44-42-30-11-19-46(20-12-30)15-5-17-48-23-24-49(27-48)18-6-16-47-21-13-31(14-22-47)43-45-39-33-10-4-2-8-29(33)26-35(51)37(39)41/h2*1-4,7-14,19-27,40-41H,5-6,15-18H2,(H-,44,45,50,51)/p+6
InChIKeyHXIJBIKVAIXAIN-UHFFFAOYSA-T
XLogP14.49
TPSA317.02 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001359.62
LogP ≤ 514.49
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-amino-4-[[1-[3-[3-[3-[4-[(4-amino-3-hydroxynaphthalen-1-yl)diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]naphthalen-2-ol;3-amino-4-[[1-[3-[3-[3-[4-[(2-amino-3-hydroxynaphthalen-1-yl)diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]naphthalen-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4-[[1-[3-[3-[3-[4-[(4-amino-3-hydroxynaphthalen-1-yl)diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]naphthalen-2-ol;3-amino-4-[[1-[3-[3-[3-[4-[(2-amino-3-hydroxynaphthalen-1-yl)diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]naphthalen-2-ol?
The IUPAC name of 1-amino-4-[[1-[3-[3-[3-[4-[(4-amino-3-hydroxynaphthalen-1-yl)diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]naphthalen-2-ol;3-amino-4-[[1-[3-[3-[3-[4-[(2-amino-3-hydroxynaphthalen-1-yl)diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]naphthalen-2-ol (CID 158615469) is 1-amino-4-[[1-[3-[3-[3-[4-[(4-amino-3-hydroxynaphthalen-1-yl)diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]naphthalen-2-ol;3-amino-4-[[1-[3-[3-[3-[4-[(2-amino-3-hydroxynaphthalen-1-yl)diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]naphthalen-2-ol.
What is the SMILES notation for 1-amino-4-[[1-[3-[3-[3-[4-[(4-amino-3-hydroxynaphthalen-1-yl)diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]naphthalen-2-ol;3-amino-4-[[1-[3-[3-[3-[4-[(2-amino-3-hydroxynaphthalen-1-yl)diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]naphthalen-2-ol?
The canonical SMILES for 1-amino-4-[[1-[3-[3-[3-[4-[(4-amino-3-hydroxynaphthalen-1-yl)diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]naphthalen-2-ol;3-amino-4-[[1-[3-[3-[3-[4-[(2-amino-3-hydroxynaphthalen-1-yl)diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]naphthalen-2-ol is Nc1c(O)cc(/N=N/c2cc[n+](CCCn3cc[n+](CCC[n+]4ccc(/N=N/c5cc(O)c(N)c6ccccc56)cc4)c3)cc2)c2ccccc12.Nc1c(O)cc2ccccc2c1/N=N/c1cc[n+](CCCn2cc[n+](CCC[n+]3ccc(/N=N/c4c(N)c(O)cc5ccccc45)cc3)c2)cc1.
What is the InChIKey of 1-amino-4-[[1-[3-[3-[3-[4-[(4-amino-3-hydroxynaphthalen-1-yl)diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]naphthalen-2-ol;3-amino-4-[[1-[3-[3-[3-[4-[(2-amino-3-hydroxynaphthalen-1-yl)diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]naphthalen-2-ol?
The InChIKey is HXIJBIKVAIXAIN-UHFFFAOYSA-T. The full InChI is InChI=1S/2C39H36N10O2/c40-38-32-9-3-1-7-30(32)34(25-36(38)50)44-42-28-11-19-46(20-12-28)15-5-17-48-23-24-49(27-48)18-6-16-47-21-13-29(14-22-47)43-45-35-26-37(51)39(41)33-10-4-2-8-31(33)35;40-36-34(50)25-28-7-1-3-9-32(28)38(36)44-42-30-11-19-46(20-12-30)15-5-17-48-23-24-49(27-48)18-6-16-47-21-13-31(14-22-47)43-45-39-33-10-4-2-8-29(33)26-35(51)37(39)41/h2*1-4,7-14,19-27,40-41H,5-6,15-18H2,(H-,44,45,50,51)/p+6.
What are the key properties of 1-amino-4-[[1-[3-[3-[3-[4-[(4-amino-3-hydroxynaphthalen-1-yl)diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]naphthalen-2-ol;3-amino-4-[[1-[3-[3-[3-[4-[(2-amino-3-hydroxynaphthalen-1-yl)diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]naphthalen-2-ol?
1-amino-4-[[1-[3-[3-[3-[4-[(4-amino-3-hydroxynaphthalen-1-yl)diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]naphthalen-2-ol;3-amino-4-[[1-[3-[3-[3-[4-[(2-amino-3-hydroxynaphthalen-1-yl)diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]naphthalen-2-ol has a molecular weight of 1359.62 g/mol, XLogP of 14.49, 24 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-[[1-[3-[3-[3-[4-[(4-amino-3-hydroxynaphthalen-1-yl)diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]naphthalen-2-ol;3-amino-4-[[1-[3-[3-[3-[4-[(2-amino-3-hydroxynaphthalen-1-yl)diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]naphthalen-2-ol is sourced from PubChem (CID 158615469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).