N-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]quinolin-8-amine

C67H43N5 — CID 59501091

About N-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]quinolin-8-amine

N-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]quinolin-8-amine (PubChem CID 59501091) has the molecular formula C67H43N5 and a molecular weight of 918.12 g/mol. Its IUPAC name is N-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]quinolin-8-amine.

Molecular Properties

• Compound Name: N-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]quinolin-8-amine
• PubChem CID: 59501091
• Molecular Formula: C67H43N5
• Molecular Weight: 918.12 g/mol
• Exact Mass: 917.35
• IUPAC Name: N-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]quinolin-8-amine
• SMILES: c1ccc(-c2nc3ccccc3nc2-c2ccc(N(c3ccc(-n4c5ccc(-c6cccc7ccccc67)cc5c5cc(-c6cccc7ccccc67)ccc54)cc3)c3cccc4cccnc34)cc2)cc1
• InChI: InChI=1S/C67H43N5/c1-2-16-47(17-3-1)66-67(70-61-27-9-8-26-60(61)69-66)48-29-33-51(34-30-48)71(64-28-12-20-46-21-13-41-68-65(46)64)52-35-37-53(38-36-52)72-62-39-31-49(56-24-10-18-44-14-4-6-22-54(44)56)42-58(62)59-43-50(32-40-63(59)72)57-25-11-19-45-15-5-7-23-55(45)57/h1-43H
• InChIKey: FVHRDHIQFKQEDX-UHFFFAOYSA-N
• XLogP: 17.72
• TPSA: 46.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	918.12
LogP ≤ 5	17.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]quinolin-8-amine?

The IUPAC name of N-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]quinolin-8-amine (CID 59501091) is N-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]quinolin-8-amine.

What is the SMILES notation for N-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]quinolin-8-amine?

The canonical SMILES for N-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]quinolin-8-amine is c1ccc(-c2nc3ccccc3nc2-c2ccc(N(c3ccc(-n4c5ccc(-c6cccc7ccccc67)cc5c5cc(-c6cccc7ccccc67)ccc54)cc3)c3cccc4cccnc34)cc2)cc1.

What is the InChIKey of N-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]quinolin-8-amine?

The InChIKey is FVHRDHIQFKQEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H43N5/c1-2-16-47(17-3-1)66-67(70-61-27-9-8-26-60(61)69-66)48-29-33-51(34-30-48)71(64-28-12-20-46-21-13-41-68-65(46)64)52-35-37-53(38-36-52)72-62-39-31-49(56-24-10-18-44-14-4-6-22-54(44)56)42-58(62)59-43-50(32-40-63(59)72)57-25-11-19-45-15-5-7-23-55(45)57/h1-43H.

What are the key properties of N-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]quinolin-8-amine?

N-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]quinolin-8-amine has a molecular weight of 918.12 g/mol, XLogP of 17.72, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]quinolin-8-amine is sourced from PubChem (CID 59501091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).