2-[4-[4-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)phenyl]phenyl]-1,10-phenanthroline

C40H25N5 — CID 118403848

About 2-[4-[4-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)phenyl]phenyl]-1,10-phenanthroline

2-[4-[4-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)phenyl]phenyl]-1,10-phenanthroline (PubChem CID 118403848) has the molecular formula C40H25N5 and a molecular weight of 575.68 g/mol. Its IUPAC name is 2-[4-[4-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)phenyl]phenyl]-1,10-phenanthroline.

Molecular Properties

• Compound Name: 2-[4-[4-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)phenyl]phenyl]-1,10-phenanthroline
• PubChem CID: 118403848
• Molecular Formula: C40H25N5
• Molecular Weight: 575.68 g/mol
• Exact Mass: 575.21
• IUPAC Name: 2-[4-[4-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)phenyl]phenyl]-1,10-phenanthroline
• SMILES: c1ccc(-n2c3ccc(-c4ccc(-c5ccc(-c6ccc7ccc8cccnc8c7n6)cc5)cc4)cc3c3cccnc32)nc1
• InChI: InChI=1S/C40H25N5/c1-2-22-41-37(7-1)45-36-21-19-32(25-34(36)33-6-4-24-43-40(33)45)28-10-8-26(9-11-28)27-12-14-29(15-13-27)35-20-18-31-17-16-30-5-3-23-42-38(30)39(31)44-35/h1-25H
• InChIKey: PZKJFYOZPWACRG-UHFFFAOYSA-N
• XLogP: 9.67
• TPSA: 56.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	575.68
LogP ≤ 5	9.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)phenyl]phenyl]-1,10-phenanthroline?

The IUPAC name of 2-[4-[4-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)phenyl]phenyl]-1,10-phenanthroline (CID 118403848) is 2-[4-[4-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)phenyl]phenyl]-1,10-phenanthroline.

What is the SMILES notation for 2-[4-[4-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)phenyl]phenyl]-1,10-phenanthroline?

The canonical SMILES for 2-[4-[4-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)phenyl]phenyl]-1,10-phenanthroline is c1ccc(-n2c3ccc(-c4ccc(-c5ccc(-c6ccc7ccc8cccnc8c7n6)cc5)cc4)cc3c3cccnc32)nc1.

What is the InChIKey of 2-[4-[4-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)phenyl]phenyl]-1,10-phenanthroline?

The InChIKey is PZKJFYOZPWACRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N5/c1-2-22-41-37(7-1)45-36-21-19-32(25-34(36)33-6-4-24-43-40(33)45)28-10-8-26(9-11-28)27-12-14-29(15-13-27)35-20-18-31-17-16-30-5-3-23-42-38(30)39(31)44-35/h1-25H.

What are the key properties of 2-[4-[4-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)phenyl]phenyl]-1,10-phenanthroline?

2-[4-[4-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)phenyl]phenyl]-1,10-phenanthroline has a molecular weight of 575.68 g/mol, XLogP of 9.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)phenyl]phenyl]-1,10-phenanthroline is sourced from PubChem (CID 118403848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).