7,10-dinaphthalen-2-yl-3-[3-[3-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine

C72H45N3 — CID 129064130

About 7,10-dinaphthalen-2-yl-3-[3-[3-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine

7,10-dinaphthalen-2-yl-3-[3-[3-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 129064130) has the molecular formula C72H45N3 and a molecular weight of 952.17 g/mol. Its IUPAC name is 7,10-dinaphthalen-2-yl-3-[3-[3-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

• Compound Name: 7,10-dinaphthalen-2-yl-3-[3-[3-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
• PubChem CID: 129064130
• Molecular Formula: C72H45N3
• Molecular Weight: 952.17 g/mol
• Exact Mass: 951.36
• IUPAC Name: 7,10-dinaphthalen-2-yl-3-[3-[3-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
• SMILES: c1ccc(-n2c3ccccc3c3ccc(-c4ccc(-c5cccc(-c6cccc(-c7cnc8c9ccc(-c%10ccc%11ccccc%11c%10)cc9c9cc(-c%10ccc%11ccccc%11c%10)ccc9c8n7)c6)c5)cc4)cc32)cc1
• InChI: InChI=1S/C72H45N3/c1-2-20-61(21-3-1)75-69-23-9-8-22-62(69)63-35-32-59(44-70(63)75)49-26-24-48(25-27-49)52-16-10-17-53(38-52)54-18-11-19-60(41-54)68-45-73-71-64-36-33-57(55-30-28-46-12-4-6-14-50(46)39-55)42-66(64)67-43-58(34-37-65(67)72(71)74-68)56-31-29-47-13-5-7-15-51(47)40-56/h1-45H
• InChIKey: BTFJKIKPMYSXSU-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 7,10-dinaphthalen-2-yl-3-[3-[3-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine?

The IUPAC name of 7,10-dinaphthalen-2-yl-3-[3-[3-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine (CID 129064130) is 7,10-dinaphthalen-2-yl-3-[3-[3-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine.

What is the SMILES notation for 7,10-dinaphthalen-2-yl-3-[3-[3-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine?

The canonical SMILES for 7,10-dinaphthalen-2-yl-3-[3-[3-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine is c1ccc(-n2c3ccccc3c3ccc(-c4ccc(-c5cccc(-c6cccc(-c7cnc8c9ccc(-c%10ccc%11ccccc%11c%10)cc9c9cc(-c%10ccc%11ccccc%11c%10)ccc9c8n7)c6)c5)cc4)cc32)cc1.

What is the InChIKey of 7,10-dinaphthalen-2-yl-3-[3-[3-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine?

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

What are the key properties of 7,10-dinaphthalen-2-yl-3-[3-[3-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine?

7,10-dinaphthalen-2-yl-3-[3-[3-[4-(9-phenylcarbazol-2-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 7,10-dinaphthalen-2-yl-3-[3-[3-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 129064130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).