3-[3-[6-[3-(9-phenylcarbazol-3-yl)phenyl]-2,3-dihydronaphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine

C56H37N3 — CID 129075841

About 3-[3-[6-[3-(9-phenylcarbazol-3-yl)phenyl]-2,3-dihydronaphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine

3-[3-[6-[3-(9-phenylcarbazol-3-yl)phenyl]-2,3-dihydronaphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 129075841) has the molecular formula C56H37N3 and a molecular weight of 751.93 g/mol. Its IUPAC name is 3-[3-[6-[3-(9-phenylcarbazol-3-yl)phenyl]-2,3-dihydronaphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

• Compound Name: 3-[3-[6-[3-(9-phenylcarbazol-3-yl)phenyl]-2,3-dihydronaphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine
• PubChem CID: 129075841
• Molecular Formula: C56H37N3
• Molecular Weight: 751.93 g/mol
• Exact Mass: 751.30
• IUPAC Name: 3-[3-[6-[3-(9-phenylcarbazol-3-yl)phenyl]-2,3-dihydronaphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine
• SMILES: C1=c2ccc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)cc2=CCC1c1cccc(-c2cnc3c4ccccc4c4ccccc4c3n2)c1
• InChI: InChI=1S/C56H37N3/c1-2-16-45(17-3-1)59-53-23-9-8-20-48(53)51-34-43(28-29-54(51)59)37-13-10-12-36(30-37)39-24-26-42-32-40(25-27-41(42)31-39)38-14-11-15-44(33-38)52-35-57-55-49-21-6-4-18-46(49)47-19-5-7-22-50(47)56(55)58-52/h1-24,26-35,40H,25H2
• InChIKey: GGYTXAZSUCCWBS-UHFFFAOYSA-N
• XLogP: 12.78
• TPSA: 30.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	751.93
LogP ≤ 5	12.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[3-[6-[3-(9-phenylcarbazol-3-yl)phenyl]-2,3-dihydronaphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine?

The IUPAC name of 3-[3-[6-[3-(9-phenylcarbazol-3-yl)phenyl]-2,3-dihydronaphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine (CID 129075841) is 3-[3-[6-[3-(9-phenylcarbazol-3-yl)phenyl]-2,3-dihydronaphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine.

What is the SMILES notation for 3-[3-[6-[3-(9-phenylcarbazol-3-yl)phenyl]-2,3-dihydronaphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine?

The canonical SMILES for 3-[3-[6-[3-(9-phenylcarbazol-3-yl)phenyl]-2,3-dihydronaphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine is C1=c2ccc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)cc2=CCC1c1cccc(-c2cnc3c4ccccc4c4ccccc4c3n2)c1.

What is the InChIKey of 3-[3-[6-[3-(9-phenylcarbazol-3-yl)phenyl]-2,3-dihydronaphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine?

The InChIKey is GGYTXAZSUCCWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N3/c1-2-16-45(17-3-1)59-53-23-9-8-20-48(53)51-34-43(28-29-54(51)59)37-13-10-12-36(30-37)39-24-26-42-32-40(25-27-41(42)31-39)38-14-11-15-44(33-38)52-35-57-55-49-21-6-4-18-46(49)47-19-5-7-22-50(47)56(55)58-52/h1-24,26-35,40H,25H2.

What are the key properties of 3-[3-[6-[3-(9-phenylcarbazol-3-yl)phenyl]-2,3-dihydronaphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine?

3-[3-[6-[3-(9-phenylcarbazol-3-yl)phenyl]-2,3-dihydronaphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine has a molecular weight of 751.93 g/mol, XLogP of 12.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[6-[3-(9-phenylcarbazol-3-yl)phenyl]-2,3-dihydronaphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 129075841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).