7-carbazol-9-yl-5-[5-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]naphthalen-2-yl]benzo[b]carbazole

C64H39N5 — CID 146374777

About 7-carbazol-9-yl-5-[5-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]naphthalen-2-yl]benzo[b]carbazole

7-carbazol-9-yl-5-[5-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]naphthalen-2-yl]benzo[b]carbazole (PubChem CID 146374777) has the molecular formula C64H39N5 and a molecular weight of 878.05 g/mol. Its IUPAC name is 7-carbazol-9-yl-5-[5-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]naphthalen-2-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 7-carbazol-9-yl-5-[5-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]naphthalen-2-yl]benzo[b]carbazole
• PubChem CID: 146374777
• Molecular Formula: C64H39N5
• Molecular Weight: 878.05 g/mol
• Exact Mass: 877.32
• IUPAC Name: 7-carbazol-9-yl-5-[5-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]naphthalen-2-yl]benzo[b]carbazole
• SMILES: c1ccc(-n2c3ccccc3c3c(-c4nc5ccccc5nc4-c4cccc5cc(-n6c7ccccc7c7cc8cccc(-n9c%10ccccc%10c%10ccccc%109)c8cc76)ccc45)cccc32)cc1
• InChI: InChI=1S/C64H39N5/c1-2-19-42(20-3-1)67-58-32-13-7-24-49(58)62-50(26-16-34-60(62)67)64-63(65-53-27-8-9-28-54(53)66-64)48-25-14-17-40-37-43(35-36-44(40)48)68-55-29-10-6-23-47(55)52-38-41-18-15-33-59(51(41)39-61(52)68)69-56-30-11-4-21-45(56)46-22-5-12-31-57(46)69/h1-39H
• InChIKey: FBWGDOKERIHAGP-UHFFFAOYSA-N
• XLogP: 16.56
• TPSA: 40.57 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	878.05
LogP ≤ 5	16.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-carbazol-9-yl-5-[5-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]naphthalen-2-yl]benzo[b]carbazole?

The IUPAC name of 7-carbazol-9-yl-5-[5-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]naphthalen-2-yl]benzo[b]carbazole (CID 146374777) is 7-carbazol-9-yl-5-[5-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]naphthalen-2-yl]benzo[b]carbazole.

What is the SMILES notation for 7-carbazol-9-yl-5-[5-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]naphthalen-2-yl]benzo[b]carbazole?

The canonical SMILES for 7-carbazol-9-yl-5-[5-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]naphthalen-2-yl]benzo[b]carbazole is c1ccc(-n2c3ccccc3c3c(-c4nc5ccccc5nc4-c4cccc5cc(-n6c7ccccc7c7cc8cccc(-n9c%10ccccc%10c%10ccccc%109)c8cc76)ccc45)cccc32)cc1.

What is the InChIKey of 7-carbazol-9-yl-5-[5-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]naphthalen-2-yl]benzo[b]carbazole?

The InChIKey is FBWGDOKERIHAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H39N5/c1-2-19-42(20-3-1)67-58-32-13-7-24-49(58)62-50(26-16-34-60(62)67)64-63(65-53-27-8-9-28-54(53)66-64)48-25-14-17-40-37-43(35-36-44(40)48)68-55-29-10-6-23-47(55)52-38-41-18-15-33-59(51(41)39-61(52)68)69-56-30-11-4-21-45(56)46-22-5-12-31-57(46)69/h1-39H.

What are the key properties of 7-carbazol-9-yl-5-[5-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]naphthalen-2-yl]benzo[b]carbazole?

7-carbazol-9-yl-5-[5-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]naphthalen-2-yl]benzo[b]carbazole has a molecular weight of 878.05 g/mol, XLogP of 16.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-carbazol-9-yl-5-[5-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]naphthalen-2-yl]benzo[b]carbazole is sourced from PubChem (CID 146374777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).