9-[3-[(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)oxy]phenyl]arsindolo[2,3-b]pyridine 9-oxide

C33H21AsN4O2 — CID 140680742

About 9-[3-[(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)oxy]phenyl]arsindolo[2,3-b]pyridine 9-oxide

9-[3-[(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)oxy]phenyl]arsindolo[2,3-b]pyridine 9-oxide (PubChem CID 140680742) has the molecular formula C33H21AsN4O2 and a molecular weight of 580.48 g/mol. Its IUPAC name is 9-[3-[(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)oxy]phenyl]arsindolo[2,3-b]pyridine 9-oxide.

Molecular Properties

• Compound Name: 9-[3-[(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)oxy]phenyl]arsindolo[2,3-b]pyridine 9-oxide
• PubChem CID: 140680742
• Molecular Formula: C33H21AsN4O2
• Molecular Weight: 580.48 g/mol
• Exact Mass: 580.09
• IUPAC Name: 9-[3-[(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)oxy]phenyl]arsindolo[2,3-b]pyridine 9-oxide
• SMILES: O=[As]1(c2cccc(Oc3cccc(-n4c5ccccc5c5cccnc54)n3)c2)c2ccccc2-c2cccnc21
• InChI: InChI=1S/C33H21AsN4O2/c39-34(28-15-3-1-11-24(28)26-13-7-19-35-32(26)34)22-9-5-10-23(21-22)40-31-18-6-17-30(37-31)38-29-16-4-2-12-25(29)27-14-8-20-36-33(27)38/h1-21H
• InChIKey: OLVZMZTVFKZOFN-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 69.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	580.48
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[3-[(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)oxy]phenyl]arsindolo[2,3-b]pyridine 9-oxide?

The IUPAC name of 9-[3-[(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)oxy]phenyl]arsindolo[2,3-b]pyridine 9-oxide (CID 140680742) is 9-[3-[(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)oxy]phenyl]arsindolo[2,3-b]pyridine 9-oxide.

What is the SMILES notation for 9-[3-[(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)oxy]phenyl]arsindolo[2,3-b]pyridine 9-oxide?

The canonical SMILES for 9-[3-[(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)oxy]phenyl]arsindolo[2,3-b]pyridine 9-oxide is O=[As]1(c2cccc(Oc3cccc(-n4c5ccccc5c5cccnc54)n3)c2)c2ccccc2-c2cccnc21.

What is the InChIKey of 9-[3-[(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)oxy]phenyl]arsindolo[2,3-b]pyridine 9-oxide?

The InChIKey is OLVZMZTVFKZOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21AsN4O2/c39-34(28-15-3-1-11-24(28)26-13-7-19-35-32(26)34)22-9-5-10-23(21-22)40-31-18-6-17-30(37-31)38-29-16-4-2-12-25(29)27-14-8-20-36-33(27)38/h1-21H.

What are the key properties of 9-[3-[(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)oxy]phenyl]arsindolo[2,3-b]pyridine 9-oxide?

9-[3-[(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)oxy]phenyl]arsindolo[2,3-b]pyridine 9-oxide has a molecular weight of 580.48 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-[(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)oxy]phenyl]arsindolo[2,3-b]pyridine 9-oxide is sourced from PubChem (CID 140680742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).