8-(7,7-dimethylbenzo[g]fluoren-9-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole

C56H38N4 — CID 142571634

About 8-(7,7-dimethylbenzo[g]fluoren-9-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole

8-(7,7-dimethylbenzo[g]fluoren-9-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole (PubChem CID 142571634) has the molecular formula C56H38N4 and a molecular weight of 766.95 g/mol. Its IUPAC name is 8-(7,7-dimethylbenzo[g]fluoren-9-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole.

Molecular Properties

• Compound Name: 8-(7,7-dimethylbenzo[g]fluoren-9-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole
• PubChem CID: 142571634
• Molecular Formula: C56H38N4
• Molecular Weight: 766.95 g/mol
• Exact Mass: 766.31
• IUPAC Name: 8-(7,7-dimethylbenzo[g]fluoren-9-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole
• SMILES: CC1(C)c2cc(-c3cccc4c5c6ccccc6ccc5n(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c34)ccc2-c2c1ccc1ccccc21
• InChI: InChI=1S/C56H38N4/c1-56(2)47-31-28-35-15-9-11-23-42(35)50(47)45-30-27-39(34-48(45)56)44-25-14-26-46-51-43-24-12-10-16-36(43)29-32-49(51)60(52(44)46)41-22-13-21-40(33-41)55-58-53(37-17-5-3-6-18-37)57-54(59-55)38-19-7-4-8-20-38/h3-34H,1-2H3
• InChIKey: OYNGJVYJZODQAW-UHFFFAOYSA-N
• XLogP: 14.25
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	766.95
LogP ≤ 5	14.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-(7,7-dimethylbenzo[g]fluoren-9-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole?

The IUPAC name of 8-(7,7-dimethylbenzo[g]fluoren-9-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole (CID 142571634) is 8-(7,7-dimethylbenzo[g]fluoren-9-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole.

What is the SMILES notation for 8-(7,7-dimethylbenzo[g]fluoren-9-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole?

The canonical SMILES for 8-(7,7-dimethylbenzo[g]fluoren-9-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole is CC1(C)c2cc(-c3cccc4c5c6ccccc6ccc5n(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c34)ccc2-c2c1ccc1ccccc21.

What is the InChIKey of 8-(7,7-dimethylbenzo[g]fluoren-9-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole?

The InChIKey is OYNGJVYJZODQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N4/c1-56(2)47-31-28-35-15-9-11-23-42(35)50(47)45-30-27-39(34-48(45)56)44-25-14-26-46-51-43-24-12-10-16-36(43)29-32-49(51)60(52(44)46)41-22-13-21-40(33-41)55-58-53(37-17-5-3-6-18-37)57-54(59-55)38-19-7-4-8-20-38/h3-34H,1-2H3.

What are the key properties of 8-(7,7-dimethylbenzo[g]fluoren-9-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole?

8-(7,7-dimethylbenzo[g]fluoren-9-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole has a molecular weight of 766.95 g/mol, XLogP of 14.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(7,7-dimethylbenzo[g]fluoren-9-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole is sourced from PubChem (CID 142571634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).