5-[4-(2-naphthalen-2-yl-6-pyridin-3-yl-4-pyridinyl)phenyl]-1,2-dihydropyrido[4,3-b]indole;hydroiodide

C37H27IN4 — CID 145477210

About 5-[4-(2-naphthalen-2-yl-6-pyridin-3-yl-4-pyridinyl)phenyl]-1,2-dihydropyrido[4,3-b]indole;hydroiodide

5-[4-(2-naphthalen-2-yl-6-pyridin-3-yl-4-pyridinyl)phenyl]-1,2-dihydropyrido[4,3-b]indole;hydroiodide (PubChem CID 145477210) has the molecular formula C37H27IN4 and a molecular weight of 654.56 g/mol. Its IUPAC name is 5-[4-(2-naphthalen-2-yl-6-pyridin-3-yl-4-pyridinyl)phenyl]-1,2-dihydropyrido[4,3-b]indole;hydroiodide.

Molecular Properties

• Compound Name: 5-[4-(2-naphthalen-2-yl-6-pyridin-3-yl-4-pyridinyl)phenyl]-1,2-dihydropyrido[4,3-b]indole;hydroiodide
• PubChem CID: 145477210
• Molecular Formula: C37H27IN4
• Molecular Weight: 654.56 g/mol
• Exact Mass: 654.13
• IUPAC Name: 5-[4-(2-naphthalen-2-yl-6-pyridin-3-yl-4-pyridinyl)phenyl]-1,2-dihydropyrido[4,3-b]indole;hydroiodide
• SMILES: C1=Cc2c(c3ccccc3n2-c2ccc(-c3cc(-c4cccnc4)nc(-c4ccc5ccccc5c4)c3)cc2)CN1.I
• InChI: InChI=1S/C37H26N4.HI/c1-2-7-27-20-28(12-11-25(27)6-1)34-21-30(22-35(40-34)29-8-5-18-38-23-29)26-13-15-31(16-14-26)41-36-10-4-3-9-32(36)33-24-39-19-17-37(33)41;/h1-23,39H,24H2;1H
• InChIKey: CACLORDXNMXLIA-UHFFFAOYSA-N
• XLogP: 9.27
• TPSA: 42.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	654.56
LogP ≤ 5	9.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 5-[4-(2-naphthalen-2-yl-6-pyridin-3-yl-4-pyridinyl)phenyl]-1,2-dihydropyrido[4,3-b]indole;hydroiodide (CID 145477210) is 5-[4-(2-naphthalen-2-yl-6-pyridin-3-yl-4-pyridinyl)phenyl]-1,2-dihydropyrido[4,3-b]indole;hydroiodide.

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

The canonical SMILES for 5-[4-(2-naphthalen-2-yl-6-pyridin-3-yl-4-pyridinyl)phenyl]-1,2-dihydropyrido[4,3-b]indole;hydroiodide is C1=Cc2c(c3ccccc3n2-c2ccc(-c3cc(-c4cccnc4)nc(-c4ccc5ccccc5c4)c3)cc2)CN1.I.

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

The InChIKey is CACLORDXNMXLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N4.HI/c1-2-7-27-20-28(12-11-25(27)6-1)34-21-30(22-35(40-34)29-8-5-18-38-23-29)26-13-15-31(16-14-26)41-36-10-4-3-9-32(36)33-24-39-19-17-37(33)41;/h1-23,39H,24H2;1H.

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

5-[4-(2-naphthalen-2-yl-6-pyridin-3-yl-4-pyridinyl)phenyl]-1,2-dihydropyrido[4,3-b]indole;hydroiodide has a molecular weight of 654.56 g/mol, XLogP of 9.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(2-naphthalen-2-yl-6-pyridin-3-yl-4-pyridinyl)phenyl]-1,2-dihydropyrido[4,3-b]indole;hydroiodide is sourced from PubChem (CID 145477210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).