bis((8-amino-6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanol);6-(hydroxymethyl)-2,3,4,9-tetrahydrocarbazol-1-one;(4-methoxyphenyl)hydrazine;trihydrochloride

C46H58Cl3N7O5 — CID 161474427

About bis((8-amino-6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanol);6-(hydroxymethyl)-2,3,4,9-tetrahydrocarbazol-1-one;(4-methoxyphenyl)hydrazine;trihydrochloride

bis((8-amino-6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanol);6-(hydroxymethyl)-2,3,4,9-tetrahydrocarbazol-1-one;(4-methoxyphenyl)hydrazine;trihydrochloride (PubChem CID 161474427) has the molecular formula C46H58Cl3N7O5 and a molecular weight of 895.37 g/mol. Its IUPAC name is bis((8-amino-6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanol);6-(hydroxymethyl)-2,3,4,9-tetrahydrocarbazol-1-one;(4-methoxyphenyl)hydrazine;trihydrochloride.

Molecular Properties

• Compound Name: bis((8-amino-6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanol);6-(hydroxymethyl)-2,3,4,9-tetrahydrocarbazol-1-one;(4-methoxyphenyl)hydrazine;trihydrochloride
• PubChem CID: 161474427
• Molecular Formula: C46H58Cl3N7O5
• Molecular Weight: 895.37 g/mol
• Exact Mass: 893.36
• IUPAC Name: bis((8-amino-6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanol);6-(hydroxymethyl)-2,3,4,9-tetrahydrocarbazol-1-one;(4-methoxyphenyl)hydrazine;trihydrochloride
• SMILES: COc1ccc(NN)cc1.Cl.Cl.Cl.NC1CCCc2c1[nH]c1ccc(CO)cc21.NC1CCCc2c1[nH]c1ccc(CO)cc21.O=C1CCCc2c1[nH]c1ccc(CO)cc21
• InChI: InChI=1S/2C13H16N2O.C13H13NO2.C7H10N2O.3ClH/c2*14-11-3-1-2-9-10-6-8(7-16)4-5-12(10)15-13(9)11;15-7-8-4-5-11-10(6-8)9-2-1-3-12(16)13(9)14-11;1-10-7-4-2-6(9-8)3-5-7;;;/h2*4-6,11,15-16H,1-3,7,14H2;4-6,14-15H,1-3,7H2;2-5,9H,8H2,1H3;3*1H
• InChIKey: UDCLGGCTEOBWEK-UHFFFAOYSA-N
• XLogP: 8.42
• TPSA: 224.45 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	895.37
LogP ≤ 5	8.42
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis((8-amino-6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanol);6-(hydroxymethyl)-2,3,4,9-tetrahydrocarbazol-1-one;(4-methoxyphenyl)hydrazine;trihydrochloride?

The IUPAC name of bis((8-amino-6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanol);6-(hydroxymethyl)-2,3,4,9-tetrahydrocarbazol-1-one;(4-methoxyphenyl)hydrazine;trihydrochloride (CID 161474427) is bis((8-amino-6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanol);6-(hydroxymethyl)-2,3,4,9-tetrahydrocarbazol-1-one;(4-methoxyphenyl)hydrazine;trihydrochloride.

What is the SMILES notation for bis((8-amino-6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanol);6-(hydroxymethyl)-2,3,4,9-tetrahydrocarbazol-1-one;(4-methoxyphenyl)hydrazine;trihydrochloride?

The canonical SMILES for bis((8-amino-6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanol);6-(hydroxymethyl)-2,3,4,9-tetrahydrocarbazol-1-one;(4-methoxyphenyl)hydrazine;trihydrochloride is COc1ccc(NN)cc1.Cl.Cl.Cl.NC1CCCc2c1[nH]c1ccc(CO)cc21.NC1CCCc2c1[nH]c1ccc(CO)cc21.O=C1CCCc2c1[nH]c1ccc(CO)cc21.

What is the InChIKey of bis((8-amino-6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanol);6-(hydroxymethyl)-2,3,4,9-tetrahydrocarbazol-1-one;(4-methoxyphenyl)hydrazine;trihydrochloride?

The InChIKey is UDCLGGCTEOBWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H16N2O.C13H13NO2.C7H10N2O.3ClH/c2*14-11-3-1-2-9-10-6-8(7-16)4-5-12(10)15-13(9)11;15-7-8-4-5-11-10(6-8)9-2-1-3-12(16)13(9)14-11;1-10-7-4-2-6(9-8)3-5-7;;;/h2*4-6,11,15-16H,1-3,7,14H2;4-6,14-15H,1-3,7H2;2-5,9H,8H2,1H3;3*1H.

What are the key properties of bis((8-amino-6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanol);6-(hydroxymethyl)-2,3,4,9-tetrahydrocarbazol-1-one;(4-methoxyphenyl)hydrazine;trihydrochloride?

bis((8-amino-6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanol);6-(hydroxymethyl)-2,3,4,9-tetrahydrocarbazol-1-one;(4-methoxyphenyl)hydrazine;trihydrochloride has a molecular weight of 895.37 g/mol, XLogP of 8.42, 5 rotatable bonds, 10 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for bis((8-amino-6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanol);6-(hydroxymethyl)-2,3,4,9-tetrahydrocarbazol-1-one;(4-methoxyphenyl)hydrazine;trihydrochloride is sourced from PubChem (CID 161474427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).