6,11-dinaphthalen-1-yl-3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine

C72H45N3 — CID 129063953

About 6,11-dinaphthalen-1-yl-3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine

6,11-dinaphthalen-1-yl-3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 129063953) has the molecular formula C72H45N3 and a molecular weight of 952.17 g/mol. Its IUPAC name is 6,11-dinaphthalen-1-yl-3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

• Compound Name: 6,11-dinaphthalen-1-yl-3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
• PubChem CID: 129063953
• Molecular Formula: C72H45N3
• Molecular Weight: 952.17 g/mol
• Exact Mass: 951.36
• IUPAC Name: 6,11-dinaphthalen-1-yl-3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5cccc(-c6cccc(-c7cnc8c9cc(-c%10cccc%11ccccc%10%11)ccc9c9ccc(-c%10cccc%11ccccc%10%11)cc9c8n7)c6)c5)c4)ccc32)cc1
• InChI: InChI=1S/C72H45N3/c1-2-25-57(26-3-1)75-69-32-9-8-29-64(69)65-42-53(35-38-70(65)75)51-22-11-20-49(40-51)48-19-10-21-50(39-48)52-23-12-24-56(41-52)68-45-73-71-66-43-54(60-30-13-17-46-15-4-6-27-58(46)60)33-36-62(66)63-37-34-55(44-67(63)72(71)74-68)61-31-14-18-47-16-5-7-28-59(47)61/h1-45H
• InChIKey: JGBGXRGGHFAJJO-UHFFFAOYSA-N
• XLogP: 19.34
• TPSA: 30.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	952.17
LogP ≤ 5	19.34
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 6,11-dinaphthalen-1-yl-3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine?

The IUPAC name of 6,11-dinaphthalen-1-yl-3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine (CID 129063953) is 6,11-dinaphthalen-1-yl-3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine.

What is the SMILES notation for 6,11-dinaphthalen-1-yl-3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine?

The canonical SMILES for 6,11-dinaphthalen-1-yl-3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine is c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5cccc(-c6cccc(-c7cnc8c9cc(-c%10cccc%11ccccc%10%11)ccc9c9ccc(-c%10cccc%11ccccc%10%11)cc9c8n7)c6)c5)c4)ccc32)cc1.

What is the InChIKey of 6,11-dinaphthalen-1-yl-3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine?

The InChIKey is JGBGXRGGHFAJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H45N3/c1-2-25-57(26-3-1)75-69-32-9-8-29-64(69)65-42-53(35-38-70(65)75)51-22-11-20-49(40-51)48-19-10-21-50(39-48)52-23-12-24-56(41-52)68-45-73-71-66-43-54(60-30-13-17-46-15-4-6-27-58(46)60)33-36-62(66)63-37-34-55(44-67(63)72(71)74-68)61-31-14-18-47-16-5-7-28-59(47)61/h1-45H.

What are the key properties of 6,11-dinaphthalen-1-yl-3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine?

6,11-dinaphthalen-1-yl-3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine has a molecular weight of 952.17 g/mol, XLogP of 19.34, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6,11-dinaphthalen-1-yl-3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 129063953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).