3-benzo[c]carbazol-7-yl-5-[5-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]naphthalen-2-yl]benzo[b]carbazole

C65H42N4 — CID 146375173

About 3-benzo[c]carbazol-7-yl-5-[5-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]naphthalen-2-yl]benzo[b]carbazole

3-benzo[c]carbazol-7-yl-5-[5-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]naphthalen-2-yl]benzo[b]carbazole (PubChem CID 146375173) has the molecular formula C65H42N4 and a molecular weight of 879.08 g/mol. Its IUPAC name is 3-benzo[c]carbazol-7-yl-5-[5-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]naphthalen-2-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 3-benzo[c]carbazol-7-yl-5-[5-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]naphthalen-2-yl]benzo[b]carbazole
• PubChem CID: 146375173
• Molecular Formula: C65H42N4
• Molecular Weight: 879.08 g/mol
• Exact Mass: 878.34
• IUPAC Name: 3-benzo[c]carbazol-7-yl-5-[5-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]naphthalen-2-yl]benzo[b]carbazole
• SMILES: CC1(C)c2ccccc2-c2cccc(-c3nc4ccccc4nc3-c3cccc4cc(-n5c6cc(-n7c8ccccc8c8c9ccccc9ccc87)ccc6c6cc7ccccc7cc65)ccc34)c21
• InChI: InChI=1S/C65H42N4/c1-65(2)54-25-9-7-20-47(54)49-22-14-24-52(62(49)65)64-63(66-55-26-10-11-27-56(55)67-64)50-23-13-18-42-35-43(30-32-45(42)50)69-59-37-41-17-4-3-16-40(41)36-53(59)48-33-31-44(38-60(48)69)68-57-28-12-8-21-51(57)61-46-19-6-5-15-39(46)29-34-58(61)68/h3-38H,1-2H3
• InChIKey: QVUCONHVHFFMAT-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 3-benzo[c]carbazol-7-yl-5-[5-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]naphthalen-2-yl]benzo[b]carbazole?

The IUPAC name of 3-benzo[c]carbazol-7-yl-5-[5-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]naphthalen-2-yl]benzo[b]carbazole (CID 146375173) is 3-benzo[c]carbazol-7-yl-5-[5-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]naphthalen-2-yl]benzo[b]carbazole.

What is the SMILES notation for 3-benzo[c]carbazol-7-yl-5-[5-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]naphthalen-2-yl]benzo[b]carbazole?

The canonical SMILES for 3-benzo[c]carbazol-7-yl-5-[5-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]naphthalen-2-yl]benzo[b]carbazole is CC1(C)c2ccccc2-c2cccc(-c3nc4ccccc4nc3-c3cccc4cc(-n5c6cc(-n7c8ccccc8c8c9ccccc9ccc87)ccc6c6cc7ccccc7cc65)ccc34)c21.

What is the InChIKey of 3-benzo[c]carbazol-7-yl-5-[5-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]naphthalen-2-yl]benzo[b]carbazole?

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

What are the key properties of 3-benzo[c]carbazol-7-yl-5-[5-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]naphthalen-2-yl]benzo[b]carbazole?

3-benzo[c]carbazol-7-yl-5-[5-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]naphthalen-2-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 3-benzo[c]carbazol-7-yl-5-[5-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]naphthalen-2-yl]benzo[b]carbazole is sourced from PubChem (CID 146375173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).