8-benzo[c]carbazol-7-yl-5-[3-(9,9-dimethylfluoren-2-yl)quinoxalin-2-yl]benzo[b]carbazole

C55H36N4 — CID 146375005

About 8-benzo[c]carbazol-7-yl-5-[3-(9,9-dimethylfluoren-2-yl)quinoxalin-2-yl]benzo[b]carbazole

8-benzo[c]carbazol-7-yl-5-[3-(9,9-dimethylfluoren-2-yl)quinoxalin-2-yl]benzo[b]carbazole (PubChem CID 146375005) has the molecular formula C55H36N4 and a molecular weight of 752.92 g/mol. Its IUPAC name is 8-benzo[c]carbazol-7-yl-5-[3-(9,9-dimethylfluoren-2-yl)quinoxalin-2-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 8-benzo[c]carbazol-7-yl-5-[3-(9,9-dimethylfluoren-2-yl)quinoxalin-2-yl]benzo[b]carbazole
• PubChem CID: 146375005
• Molecular Formula: C55H36N4
• Molecular Weight: 752.92 g/mol
• Exact Mass: 752.29
• IUPAC Name: 8-benzo[c]carbazol-7-yl-5-[3-(9,9-dimethylfluoren-2-yl)quinoxalin-2-yl]benzo[b]carbazole
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3nc4ccccc4nc3-n3c4ccccc4c4cc5ccc(-n6c7ccccc7c7c8ccccc8ccc76)cc5cc43)cc21
• InChI: InChI=1S/C55H36N4/c1-55(2)44-18-8-5-15-39(44)40-27-24-35(31-45(40)55)53-54(57-47-20-10-9-19-46(47)56-53)59-48-21-11-6-16-41(48)43-30-34-23-26-37(29-36(34)32-51(43)59)58-49-22-12-7-17-42(49)52-38-14-4-3-13-33(38)25-28-50(52)58/h3-32H,1-2H3
• InChIKey: JUMSSBWWYKMMRZ-UHFFFAOYSA-N
• XLogP: 14.10
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	752.92
LogP ≤ 5	14.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-benzo[c]carbazol-7-yl-5-[3-(9,9-dimethylfluoren-2-yl)quinoxalin-2-yl]benzo[b]carbazole?

The IUPAC name of 8-benzo[c]carbazol-7-yl-5-[3-(9,9-dimethylfluoren-2-yl)quinoxalin-2-yl]benzo[b]carbazole (CID 146375005) is 8-benzo[c]carbazol-7-yl-5-[3-(9,9-dimethylfluoren-2-yl)quinoxalin-2-yl]benzo[b]carbazole.

What is the SMILES notation for 8-benzo[c]carbazol-7-yl-5-[3-(9,9-dimethylfluoren-2-yl)quinoxalin-2-yl]benzo[b]carbazole?

The canonical SMILES for 8-benzo[c]carbazol-7-yl-5-[3-(9,9-dimethylfluoren-2-yl)quinoxalin-2-yl]benzo[b]carbazole is CC1(C)c2ccccc2-c2ccc(-c3nc4ccccc4nc3-n3c4ccccc4c4cc5ccc(-n6c7ccccc7c7c8ccccc8ccc76)cc5cc43)cc21.

What is the InChIKey of 8-benzo[c]carbazol-7-yl-5-[3-(9,9-dimethylfluoren-2-yl)quinoxalin-2-yl]benzo[b]carbazole?

The InChIKey is JUMSSBWWYKMMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N4/c1-55(2)44-18-8-5-15-39(44)40-27-24-35(31-45(40)55)53-54(57-47-20-10-9-19-46(47)56-53)59-48-21-11-6-16-41(48)43-30-34-23-26-37(29-36(34)32-51(43)59)58-49-22-12-7-17-42(49)52-38-14-4-3-13-33(38)25-28-50(52)58/h3-32H,1-2H3.

What are the key properties of 8-benzo[c]carbazol-7-yl-5-[3-(9,9-dimethylfluoren-2-yl)quinoxalin-2-yl]benzo[b]carbazole?

8-benzo[c]carbazol-7-yl-5-[3-(9,9-dimethylfluoren-2-yl)quinoxalin-2-yl]benzo[b]carbazole has a molecular weight of 752.92 g/mol, XLogP of 14.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-benzo[c]carbazol-7-yl-5-[3-(9,9-dimethylfluoren-2-yl)quinoxalin-2-yl]benzo[b]carbazole is sourced from PubChem (CID 146375005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).