3-(5-chloronaphthalen-1-yl)phenanthro[9,10-b]pyrazine;3-(3-chlorophenyl)phenanthro[9,10-b]pyrazine;3-(4-chlorophenyl)phenanthro[9,10-b]pyrazine;3-(3,5-dichlorophenyl)phenanthro[9,10-b]pyrazine

C92H53Cl5N8 — CID 160556883

About 3-(5-chloronaphthalen-1-yl)phenanthro[9,10-b]pyrazine;3-(3-chlorophenyl)phenanthro[9,10-b]pyrazine;3-(4-chlorophenyl)phenanthro[9,10-b]pyrazine;3-(3,5-dichlorophenyl)phenanthro[9,10-b]pyrazine

3-(5-chloronaphthalen-1-yl)phenanthro[9,10-b]pyrazine;3-(3-chlorophenyl)phenanthro[9,10-b]pyrazine;3-(4-chlorophenyl)phenanthro[9,10-b]pyrazine;3-(3,5-dichlorophenyl)phenanthro[9,10-b]pyrazine (PubChem CID 160556883) has the molecular formula C92H53Cl5N8 and a molecular weight of 1447.76 g/mol. Its IUPAC name is 3-(5-chloronaphthalen-1-yl)phenanthro[9,10-b]pyrazine;3-(3-chlorophenyl)phenanthro[9,10-b]pyrazine;3-(4-chlorophenyl)phenanthro[9,10-b]pyrazine;3-(3,5-dichlorophenyl)phenanthro[9,10-b]pyrazine.

Molecular Properties

• Compound Name: 3-(5-chloronaphthalen-1-yl)phenanthro[9,10-b]pyrazine;3-(3-chlorophenyl)phenanthro[9,10-b]pyrazine;3-(4-chlorophenyl)phenanthro[9,10-b]pyrazine;3-(3,5-dichlorophenyl)phenanthro[9,10-b]pyrazine
• PubChem CID: 160556883
• Molecular Formula: C92H53Cl5N8
• Molecular Weight: 1447.76 g/mol
• Exact Mass: 1444.28
• IUPAC Name: 3-(5-chloronaphthalen-1-yl)phenanthro[9,10-b]pyrazine;3-(3-chlorophenyl)phenanthro[9,10-b]pyrazine;3-(4-chlorophenyl)phenanthro[9,10-b]pyrazine;3-(3,5-dichlorophenyl)phenanthro[9,10-b]pyrazine
• SMILES: Clc1cc(Cl)cc(-c2cnc3c4ccccc4c4ccccc4c3n2)c1.Clc1ccc(-c2cnc3c4ccccc4c4ccccc4c3n2)cc1.Clc1cccc(-c2cnc3c4ccccc4c4ccccc4c3n2)c1.Clc1cccc2c(-c3cnc4c5ccccc5c5ccccc5c4n3)cccc12
• InChI: InChI=1S/C26H15ClN2.C22H12Cl2N2.2C22H13ClN2/c27-23-14-6-11-18-19(23)12-5-13-20(18)24-15-28-25-21-9-3-1-7-16(21)17-8-2-4-10-22(17)26(25)29-24;23-14-9-13(10-15(24)11-14)20-12-25-21-18-7-3-1-5-16(18)17-6-2-4-8-19(17)22(21)26-20;23-15-7-5-6-14(12-15)20-13-24-21-18-10-3-1-8-16(18)17-9-2-4-11-19(17)22(21)25-20;23-15-11-9-14(10-12-15)20-13-24-21-18-7-3-1-5-16(18)17-6-2-4-8-19(17)22(21)25-20/h1-15H;1-12H;2*1-13H
• InChIKey: QYUMDIGBPAWHJD-UHFFFAOYSA-N
• XLogP: 26.83
• TPSA: 103.12 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1447.76
LogP ≤ 5	26.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloronaphthalen-1-yl)phenanthro[9,10-b]pyrazine;3-(3-chlorophenyl)phenanthro[9,10-b]pyrazine;3-(4-chlorophenyl)phenanthro[9,10-b]pyrazine;3-(3,5-dichlorophenyl)phenanthro[9,10-b]pyrazine?

The IUPAC name of 3-(5-chloronaphthalen-1-yl)phenanthro[9,10-b]pyrazine;3-(3-chlorophenyl)phenanthro[9,10-b]pyrazine;3-(4-chlorophenyl)phenanthro[9,10-b]pyrazine;3-(3,5-dichlorophenyl)phenanthro[9,10-b]pyrazine (CID 160556883) is 3-(5-chloronaphthalen-1-yl)phenanthro[9,10-b]pyrazine;3-(3-chlorophenyl)phenanthro[9,10-b]pyrazine;3-(4-chlorophenyl)phenanthro[9,10-b]pyrazine;3-(3,5-dichlorophenyl)phenanthro[9,10-b]pyrazine.

What is the SMILES notation for 3-(5-chloronaphthalen-1-yl)phenanthro[9,10-b]pyrazine;3-(3-chlorophenyl)phenanthro[9,10-b]pyrazine;3-(4-chlorophenyl)phenanthro[9,10-b]pyrazine;3-(3,5-dichlorophenyl)phenanthro[9,10-b]pyrazine?

The canonical SMILES for 3-(5-chloronaphthalen-1-yl)phenanthro[9,10-b]pyrazine;3-(3-chlorophenyl)phenanthro[9,10-b]pyrazine;3-(4-chlorophenyl)phenanthro[9,10-b]pyrazine;3-(3,5-dichlorophenyl)phenanthro[9,10-b]pyrazine is Clc1cc(Cl)cc(-c2cnc3c4ccccc4c4ccccc4c3n2)c1.Clc1ccc(-c2cnc3c4ccccc4c4ccccc4c3n2)cc1.Clc1cccc(-c2cnc3c4ccccc4c4ccccc4c3n2)c1.Clc1cccc2c(-c3cnc4c5ccccc5c5ccccc5c4n3)cccc12.

What is the InChIKey of 3-(5-chloronaphthalen-1-yl)phenanthro[9,10-b]pyrazine;3-(3-chlorophenyl)phenanthro[9,10-b]pyrazine;3-(4-chlorophenyl)phenanthro[9,10-b]pyrazine;3-(3,5-dichlorophenyl)phenanthro[9,10-b]pyrazine?

The InChIKey is QYUMDIGBPAWHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15ClN2.C22H12Cl2N2.2C22H13ClN2/c27-23-14-6-11-18-19(23)12-5-13-20(18)24-15-28-25-21-9-3-1-7-16(21)17-8-2-4-10-22(17)26(25)29-24;23-14-9-13(10-15(24)11-14)20-12-25-21-18-7-3-1-5-16(18)17-6-2-4-8-19(17)22(21)26-20;23-15-7-5-6-14(12-15)20-13-24-21-18-10-3-1-8-16(18)17-9-2-4-11-19(17)22(21)25-20;23-15-11-9-14(10-12-15)20-13-24-21-18-7-3-1-5-16(18)17-6-2-4-8-19(17)22(21)25-20/h1-15H;1-12H;2*1-13H.

What are the key properties of 3-(5-chloronaphthalen-1-yl)phenanthro[9,10-b]pyrazine;3-(3-chlorophenyl)phenanthro[9,10-b]pyrazine;3-(4-chlorophenyl)phenanthro[9,10-b]pyrazine;3-(3,5-dichlorophenyl)phenanthro[9,10-b]pyrazine?

3-(5-chloronaphthalen-1-yl)phenanthro[9,10-b]pyrazine;3-(3-chlorophenyl)phenanthro[9,10-b]pyrazine;3-(4-chlorophenyl)phenanthro[9,10-b]pyrazine;3-(3,5-dichlorophenyl)phenanthro[9,10-b]pyrazine has a molecular weight of 1447.76 g/mol, XLogP of 26.83, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-chloronaphthalen-1-yl)phenanthro[9,10-b]pyrazine;3-(3-chlorophenyl)phenanthro[9,10-b]pyrazine;3-(4-chlorophenyl)phenanthro[9,10-b]pyrazine;3-(3,5-dichlorophenyl)phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 160556883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).