3-[3-[5-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine

C56H35N3 — CID 129063733

About 3-[3-[5-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine

3-[3-[5-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 129063733) has the molecular formula C56H35N3 and a molecular weight of 749.92 g/mol. Its IUPAC name is 3-[3-[5-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

• Compound Name: 3-[3-[5-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine
• PubChem CID: 129063733
• Molecular Formula: C56H35N3
• Molecular Weight: 749.92 g/mol
• Exact Mass: 749.28
• IUPAC Name: 3-[3-[5-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5cccc6c(-c7cccc(-c8cnc9c%10ccccc%10c%10ccccc%10c9n8)c7)cccc56)cc4)ccc32)cc1
• InChI: InChI=1S/C56H35N3/c1-2-15-41(16-3-1)59-53-26-9-8-19-48(53)51-34-38(31-32-54(51)59)36-27-29-37(30-28-36)42-22-11-25-45-43(23-12-24-44(42)45)39-13-10-14-40(33-39)52-35-57-55-49-20-6-4-17-46(49)47-18-5-7-21-50(47)56(55)58-52/h1-35H
• InChIKey: OZHAJYBMIRWJBT-UHFFFAOYSA-N
• XLogP: 14.85
• 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	749.92
LogP ≤ 5	14.85
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-[5-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine?

The IUPAC name of 3-[3-[5-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine (CID 129063733) is 3-[3-[5-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine.

What is the SMILES notation for 3-[3-[5-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine?

The canonical SMILES for 3-[3-[5-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine is c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5cccc6c(-c7cccc(-c8cnc9c%10ccccc%10c%10ccccc%10c9n8)c7)cccc56)cc4)ccc32)cc1.

What is the InChIKey of 3-[3-[5-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine?

The InChIKey is OZHAJYBMIRWJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N3/c1-2-15-41(16-3-1)59-53-26-9-8-19-48(53)51-34-38(31-32-54(51)59)36-27-29-37(30-28-36)42-22-11-25-45-43(23-12-24-44(42)45)39-13-10-14-40(33-39)52-35-57-55-49-20-6-4-17-46(49)47-18-5-7-21-50(47)56(55)58-52/h1-35H.

What are the key properties of 3-[3-[5-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine?

3-[3-[5-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine has a molecular weight of 749.92 g/mol, XLogP of 14.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[5-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 129063733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).