7-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]purin-6-amine;9-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]purin-6-amine

C52H38Cl4N14O2 — CID 157134541

About 7-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]purin-6-amine;9-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]purin-6-amine

7-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]purin-6-amine;9-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]purin-6-amine (PubChem CID 157134541) has the molecular formula C52H38Cl4N14O2 and a molecular weight of 1032.78 g/mol. Its IUPAC name is 7-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]purin-6-amine;9-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]purin-6-amine.

Molecular Properties

• Compound Name: 7-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]purin-6-amine;9-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]purin-6-amine
• PubChem CID: 157134541
• Molecular Formula: C52H38Cl4N14O2
• Molecular Weight: 1032.78 g/mol
• Exact Mass: 1030.21
• IUPAC Name: 7-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]purin-6-amine;9-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]purin-6-amine
• SMILES: Nc1ncnc2c1ncn2CCCOc1c2[nH]c3ccc(Cl)cc3c2cc2c1[nH]c1ccc(Cl)cc12.Nc1ncnc2ncn(CCCOc3c4[nH]c5ccc(Cl)cc5c4cc4c3[nH]c3ccc(Cl)cc34)c12
• InChI: InChI=1S/2C26H19Cl2N7O/c27-13-2-4-19-15(8-13)17-10-18-16-9-14(28)3-5-20(16)34-22(18)24(21(17)33-19)36-7-1-6-35-12-32-26-23(35)25(29)30-11-31-26;27-13-2-4-19-15(8-13)17-10-18-16-9-14(28)3-5-20(16)34-22(18)24(21(17)33-19)36-7-1-6-35-12-32-23-25(29)30-11-31-26(23)35/h2*2-5,8-12,33-34H,1,6-7H2,(H2,29,30,31)
• InChIKey: AJLVPITYJMRRIX-UHFFFAOYSA-N
• XLogP: 12.91
• TPSA: 220.86 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1032.78
LogP ≤ 5	12.91
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]purin-6-amine;9-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]purin-6-amine?

The IUPAC name of 7-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]purin-6-amine;9-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]purin-6-amine (CID 157134541) is 7-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]purin-6-amine;9-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]purin-6-amine.

What is the SMILES notation for 7-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]purin-6-amine;9-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]purin-6-amine?

The canonical SMILES for 7-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]purin-6-amine;9-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]purin-6-amine is Nc1ncnc2c1ncn2CCCOc1c2[nH]c3ccc(Cl)cc3c2cc2c1[nH]c1ccc(Cl)cc12.Nc1ncnc2ncn(CCCOc3c4[nH]c5ccc(Cl)cc5c4cc4c3[nH]c3ccc(Cl)cc34)c12.

What is the InChIKey of 7-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]purin-6-amine;9-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]purin-6-amine?

The InChIKey is AJLVPITYJMRRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H19Cl2N7O/c27-13-2-4-19-15(8-13)17-10-18-16-9-14(28)3-5-20(16)34-22(18)24(21(17)33-19)36-7-1-6-35-12-32-26-23(35)25(29)30-11-31-26;27-13-2-4-19-15(8-13)17-10-18-16-9-14(28)3-5-20(16)34-22(18)24(21(17)33-19)36-7-1-6-35-12-32-23-25(29)30-11-31-26(23)35/h2*2-5,8-12,33-34H,1,6-7H2,(H2,29,30,31).

What are the key properties of 7-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]purin-6-amine;9-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]purin-6-amine?

7-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]purin-6-amine;9-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]purin-6-amine has a molecular weight of 1032.78 g/mol, XLogP of 12.91, 10 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]purin-6-amine;9-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]purin-6-amine is sourced from PubChem (CID 157134541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).