9-benzo[a]carbazol-11-yl-5-[6-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]naphthalen-1-yl]benzo[b]carbazole

C65H42N4 — CID 146375533

About 9-benzo[a]carbazol-11-yl-5-[6-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]naphthalen-1-yl]benzo[b]carbazole

9-benzo[a]carbazol-11-yl-5-[6-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]naphthalen-1-yl]benzo[b]carbazole (PubChem CID 146375533) has the molecular formula C65H42N4 and a molecular weight of 879.08 g/mol. Its IUPAC name is 9-benzo[a]carbazol-11-yl-5-[6-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]naphthalen-1-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 9-benzo[a]carbazol-11-yl-5-[6-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]naphthalen-1-yl]benzo[b]carbazole
• PubChem CID: 146375533
• Molecular Formula: C65H42N4
• Molecular Weight: 879.08 g/mol
• Exact Mass: 878.34
• IUPAC Name: 9-benzo[a]carbazol-11-yl-5-[6-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]naphthalen-1-yl]benzo[b]carbazole
• SMILES: CC1(C)c2ccccc2-c2cccc(-c3nc4ccccc4nc3-c3ccc4c(-n5c6ccccc6c6cc7cc(-n8c9ccccc9c9ccc%10ccccc%10c98)ccc7cc65)cccc4c3)c21
• InChI: InChI=1S/C65H42N4/c1-65(2)54-23-8-5-18-47(54)50-21-14-22-52(61(50)65)63-62(66-55-24-9-10-25-56(55)67-63)42-31-33-45-41(35-42)16-13-28-57(45)69-59-27-12-7-20-49(59)53-37-43-36-44(32-29-40(43)38-60(53)69)68-58-26-11-6-19-48(58)51-34-30-39-15-3-4-17-46(39)64(51)68/h3-38H,1-2H3
• InChIKey: HXUJRHOSRBIZIN-UHFFFAOYSA-N
• XLogP: 16.92
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	879.08
LogP ≤ 5	16.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-benzo[a]carbazol-11-yl-5-[6-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]naphthalen-1-yl]benzo[b]carbazole?

The IUPAC name of 9-benzo[a]carbazol-11-yl-5-[6-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]naphthalen-1-yl]benzo[b]carbazole (CID 146375533) is 9-benzo[a]carbazol-11-yl-5-[6-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]naphthalen-1-yl]benzo[b]carbazole.

What is the SMILES notation for 9-benzo[a]carbazol-11-yl-5-[6-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]naphthalen-1-yl]benzo[b]carbazole?

The canonical SMILES for 9-benzo[a]carbazol-11-yl-5-[6-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]naphthalen-1-yl]benzo[b]carbazole is CC1(C)c2ccccc2-c2cccc(-c3nc4ccccc4nc3-c3ccc4c(-n5c6ccccc6c6cc7cc(-n8c9ccccc9c9ccc%10ccccc%10c98)ccc7cc65)cccc4c3)c21.

What is the InChIKey of 9-benzo[a]carbazol-11-yl-5-[6-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]naphthalen-1-yl]benzo[b]carbazole?

The InChIKey is HXUJRHOSRBIZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H42N4/c1-65(2)54-23-8-5-18-47(54)50-21-14-22-52(61(50)65)63-62(66-55-24-9-10-25-56(55)67-63)42-31-33-45-41(35-42)16-13-28-57(45)69-59-27-12-7-20-49(59)53-37-43-36-44(32-29-40(43)38-60(53)69)68-58-26-11-6-19-48(58)51-34-30-39-15-3-4-17-46(39)64(51)68/h3-38H,1-2H3.

What are the key properties of 9-benzo[a]carbazol-11-yl-5-[6-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]naphthalen-1-yl]benzo[b]carbazole?

9-benzo[a]carbazol-11-yl-5-[6-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]naphthalen-1-yl]benzo[b]carbazole has a molecular weight of 879.08 g/mol, XLogP of 16.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-benzo[a]carbazol-11-yl-5-[6-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]naphthalen-1-yl]benzo[b]carbazole is sourced from PubChem (CID 146375533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).