11-(3-naphthalen-2-ylquinoxalin-2-yl)-7-(9-phenylcarbazol-4-yl)benzo[a]carbazole

C52H32N4 — CID 155114316

About 11-(3-naphthalen-2-ylquinoxalin-2-yl)-7-(9-phenylcarbazol-4-yl)benzo[a]carbazole

11-(3-naphthalen-2-ylquinoxalin-2-yl)-7-(9-phenylcarbazol-4-yl)benzo[a]carbazole (PubChem CID 155114316) has the molecular formula C52H32N4 and a molecular weight of 712.86 g/mol. Its IUPAC name is 11-(3-naphthalen-2-ylquinoxalin-2-yl)-7-(9-phenylcarbazol-4-yl)benzo[a]carbazole.

Molecular Properties

• Compound Name: 11-(3-naphthalen-2-ylquinoxalin-2-yl)-7-(9-phenylcarbazol-4-yl)benzo[a]carbazole
• PubChem CID: 155114316
• Molecular Formula: C52H32N4
• Molecular Weight: 712.86 g/mol
• Exact Mass: 712.26
• IUPAC Name: 11-(3-naphthalen-2-ylquinoxalin-2-yl)-7-(9-phenylcarbazol-4-yl)benzo[a]carbazole
• SMILES: c1ccc(-n2c3ccccc3c3c(-c4cccc5c4c4ccc6ccccc6c4n5-c4nc5ccccc5nc4-c4ccc5ccccc5c4)cccc32)cc1
• InChI: InChI=1S/C52H32N4/c1-2-17-37(18-3-1)55-45-25-11-8-20-41(45)48-39(21-12-26-46(48)55)40-22-13-27-47-49(40)42-31-30-34-15-6-7-19-38(34)51(42)56(47)52-50(53-43-23-9-10-24-44(43)54-52)36-29-28-33-14-4-5-16-35(33)32-36/h1-32H
• InChIKey: FVPUCHSCMDGFEF-UHFFFAOYSA-N
• XLogP: 13.46
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	712.86
LogP ≤ 5	13.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 11-(3-naphthalen-2-ylquinoxalin-2-yl)-7-(9-phenylcarbazol-4-yl)benzo[a]carbazole?

The IUPAC name of 11-(3-naphthalen-2-ylquinoxalin-2-yl)-7-(9-phenylcarbazol-4-yl)benzo[a]carbazole (CID 155114316) is 11-(3-naphthalen-2-ylquinoxalin-2-yl)-7-(9-phenylcarbazol-4-yl)benzo[a]carbazole.

What is the SMILES notation for 11-(3-naphthalen-2-ylquinoxalin-2-yl)-7-(9-phenylcarbazol-4-yl)benzo[a]carbazole?

The canonical SMILES for 11-(3-naphthalen-2-ylquinoxalin-2-yl)-7-(9-phenylcarbazol-4-yl)benzo[a]carbazole is c1ccc(-n2c3ccccc3c3c(-c4cccc5c4c4ccc6ccccc6c4n5-c4nc5ccccc5nc4-c4ccc5ccccc5c4)cccc32)cc1.

What is the InChIKey of 11-(3-naphthalen-2-ylquinoxalin-2-yl)-7-(9-phenylcarbazol-4-yl)benzo[a]carbazole?

The InChIKey is FVPUCHSCMDGFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4/c1-2-17-37(18-3-1)55-45-25-11-8-20-41(45)48-39(21-12-26-46(48)55)40-22-13-27-47-49(40)42-31-30-34-15-6-7-19-38(34)51(42)56(47)52-50(53-43-23-9-10-24-44(43)54-52)36-29-28-33-14-4-5-16-35(33)32-36/h1-32H.

What are the key properties of 11-(3-naphthalen-2-ylquinoxalin-2-yl)-7-(9-phenylcarbazol-4-yl)benzo[a]carbazole?

11-(3-naphthalen-2-ylquinoxalin-2-yl)-7-(9-phenylcarbazol-4-yl)benzo[a]carbazole has a molecular weight of 712.86 g/mol, XLogP of 13.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 11-(3-naphthalen-2-ylquinoxalin-2-yl)-7-(9-phenylcarbazol-4-yl)benzo[a]carbazole is sourced from PubChem (CID 155114316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).