9-[5-[4-(3-phenylphenyl)-6-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole

C38H25N5 — CID 59609470

About 9-[5-[4-(3-phenylphenyl)-6-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole

9-[5-[4-(3-phenylphenyl)-6-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole (PubChem CID 59609470) has the molecular formula C38H25N5 and a molecular weight of 551.65 g/mol. Its IUPAC name is 9-[5-[4-(3-phenylphenyl)-6-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole.

Molecular Properties

• Compound Name: 9-[5-[4-(3-phenylphenyl)-6-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole
• PubChem CID: 59609470
• Molecular Formula: C38H25N5
• Molecular Weight: 551.65 g/mol
• Exact Mass: 551.21
• IUPAC Name: 9-[5-[4-(3-phenylphenyl)-6-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole
• SMILES: c1ccc(-c2cccc(-c3cc(-c4cccnc4)nc(-c4ccc(-n5c6ccccc6c6ccncc65)nc4)c3)c2)cc1
• InChI: InChI=1S/C38H25N5/c1-2-8-26(9-3-1)27-10-6-11-28(20-27)31-21-34(29-12-7-18-39-23-29)42-35(22-31)30-15-16-38(41-24-30)43-36-14-5-4-13-32(36)33-17-19-40-25-37(33)43/h1-25H
• InChIKey: JATPMNWDESXYIU-UHFFFAOYSA-N
• XLogP: 9.03
• TPSA: 56.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.65
LogP ≤ 5	9.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-[5-[4-(3-phenylphenyl)-6-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole?

The IUPAC name of 9-[5-[4-(3-phenylphenyl)-6-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole (CID 59609470) is 9-[5-[4-(3-phenylphenyl)-6-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole.

What is the SMILES notation for 9-[5-[4-(3-phenylphenyl)-6-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole?

The canonical SMILES for 9-[5-[4-(3-phenylphenyl)-6-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole is c1ccc(-c2cccc(-c3cc(-c4cccnc4)nc(-c4ccc(-n5c6ccccc6c6ccncc65)nc4)c3)c2)cc1.

What is the InChIKey of 9-[5-[4-(3-phenylphenyl)-6-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole?

The InChIKey is JATPMNWDESXYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N5/c1-2-8-26(9-3-1)27-10-6-11-28(20-27)31-21-34(29-12-7-18-39-23-29)42-35(22-31)30-15-16-38(41-24-30)43-36-14-5-4-13-32(36)33-17-19-40-25-37(33)43/h1-25H.

What are the key properties of 9-[5-[4-(3-phenylphenyl)-6-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole?

9-[5-[4-(3-phenylphenyl)-6-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole has a molecular weight of 551.65 g/mol, XLogP of 9.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[5-[4-(3-phenylphenyl)-6-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole is sourced from PubChem (CID 59609470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).