5-[6-[6-[6-(10-phenylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-1,2-dihydropyrido[4,3-b]indole;hydroiodide

C46H32IN5 — CID 143626891

About 5-[6-[6-[6-(10-phenylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-1,2-dihydropyrido[4,3-b]indole;hydroiodide

5-[6-[6-[6-(10-phenylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-1,2-dihydropyrido[4,3-b]indole;hydroiodide (PubChem CID 143626891) has the molecular formula C46H32IN5 and a molecular weight of 781.70 g/mol. Its IUPAC name is 5-[6-[6-[6-(10-phenylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-1,2-dihydropyrido[4,3-b]indole;hydroiodide.

Molecular Properties

• Compound Name: 5-[6-[6-[6-(10-phenylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-1,2-dihydropyrido[4,3-b]indole;hydroiodide
• PubChem CID: 143626891
• Molecular Formula: C46H32IN5
• Molecular Weight: 781.70 g/mol
• Exact Mass: 781.17
• IUPAC Name: 5-[6-[6-[6-(10-phenylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-1,2-dihydropyrido[4,3-b]indole;hydroiodide
• SMILES: C1=Cc2c(c3ccccc3n2-c2cccc(-c3cccc(-c4cccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)n4)n3)n2)CN1.I
• InChI: InChI=1S/C46H31N5.HI/c1-2-13-30(14-3-1)45-32-16-4-6-18-34(32)46(35-19-7-5-17-33(35)45)41-24-11-22-38(49-41)37-20-10-21-39(48-37)40-23-12-26-44(50-40)51-42-25-9-8-15-31(42)36-29-47-28-27-43(36)51;/h1-28,47H,29H2;1H
• InChIKey: VZRJIEQACWCFFT-UHFFFAOYSA-N
• XLogP: 11.48
• TPSA: 55.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	781.70
LogP ≤ 5	11.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[6-[6-[6-(10-phenylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-1,2-dihydropyrido[4,3-b]indole;hydroiodide?

The IUPAC name of 5-[6-[6-[6-(10-phenylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-1,2-dihydropyrido[4,3-b]indole;hydroiodide (CID 143626891) is 5-[6-[6-[6-(10-phenylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-1,2-dihydropyrido[4,3-b]indole;hydroiodide.

What is the SMILES notation for 5-[6-[6-[6-(10-phenylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-1,2-dihydropyrido[4,3-b]indole;hydroiodide?

The canonical SMILES for 5-[6-[6-[6-(10-phenylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-1,2-dihydropyrido[4,3-b]indole;hydroiodide is C1=Cc2c(c3ccccc3n2-c2cccc(-c3cccc(-c4cccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)n4)n3)n2)CN1.I.

What is the InChIKey of 5-[6-[6-[6-(10-phenylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-1,2-dihydropyrido[4,3-b]indole;hydroiodide?

The InChIKey is VZRJIEQACWCFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N5.HI/c1-2-13-30(14-3-1)45-32-16-4-6-18-34(32)46(35-19-7-5-17-33(35)45)41-24-11-22-38(49-41)37-20-10-21-39(48-37)40-23-12-26-44(50-40)51-42-25-9-8-15-31(42)36-29-47-28-27-43(36)51;/h1-28,47H,29H2;1H.

What are the key properties of 5-[6-[6-[6-(10-phenylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-1,2-dihydropyrido[4,3-b]indole;hydroiodide?

5-[6-[6-[6-(10-phenylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-1,2-dihydropyrido[4,3-b]indole;hydroiodide has a molecular weight of 781.70 g/mol, XLogP of 11.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-[6-[6-(10-phenylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-1,2-dihydropyrido[4,3-b]indole;hydroiodide is sourced from PubChem (CID 143626891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).