3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-2-yl]-10-phenylpyrazolo[4,5-a]carbazole

C58H37N7 — CID 129303871

About 3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-2-yl]-10-phenylpyrazolo[4,5-a]carbazole

3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-2-yl]-10-phenylpyrazolo[4,5-a]carbazole (PubChem CID 129303871) has the molecular formula C58H37N7 and a molecular weight of 831.98 g/mol. Its IUPAC name is 3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-2-yl]-10-phenylpyrazolo[4,5-a]carbazole.

Molecular Properties

• Compound Name: 3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-2-yl]-10-phenylpyrazolo[4,5-a]carbazole
• PubChem CID: 129303871
• Molecular Formula: C58H37N7
• Molecular Weight: 831.98 g/mol
• Exact Mass: 831.31
• IUPAC Name: 3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-2-yl]-10-phenylpyrazolo[4,5-a]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-n5c6ccccc6c6ccc(-n7ncc8c7ccc7c9ccccc9n(-c9ccccc9)c78)cc65)c4)c3)n2)cc1
• InChI: InChI=1S/C58H37N7/c1-4-16-38(17-5-1)56-60-57(39-18-6-2-7-19-39)62-58(61-56)42-22-14-20-40(34-42)41-21-15-25-44(35-41)63-51-28-12-10-26-46(51)48-31-30-45(36-54(48)63)65-53-33-32-49-47-27-11-13-29-52(47)64(43-23-8-3-9-24-43)55(49)50(53)37-59-65/h1-37H
• InChIKey: VCCCFMZCRDWROR-UHFFFAOYSA-N
• XLogP: 14.07
• TPSA: 66.35 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	831.98
LogP ≤ 5	14.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-2-yl]-10-phenylpyrazolo[4,5-a]carbazole?

The IUPAC name of 3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-2-yl]-10-phenylpyrazolo[4,5-a]carbazole (CID 129303871) is 3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-2-yl]-10-phenylpyrazolo[4,5-a]carbazole.

What is the SMILES notation for 3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-2-yl]-10-phenylpyrazolo[4,5-a]carbazole?

The canonical SMILES for 3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-2-yl]-10-phenylpyrazolo[4,5-a]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-n5c6ccccc6c6ccc(-n7ncc8c7ccc7c9ccccc9n(-c9ccccc9)c78)cc65)c4)c3)n2)cc1.

What is the InChIKey of 3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-2-yl]-10-phenylpyrazolo[4,5-a]carbazole?

The InChIKey is VCCCFMZCRDWROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N7/c1-4-16-38(17-5-1)56-60-57(39-18-6-2-7-19-39)62-58(61-56)42-22-14-20-40(34-42)41-21-15-25-44(35-41)63-51-28-12-10-26-46(51)48-31-30-45(36-54(48)63)65-53-33-32-49-47-27-11-13-29-52(47)64(43-23-8-3-9-24-43)55(49)50(53)37-59-65/h1-37H.

What are the key properties of 3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-2-yl]-10-phenylpyrazolo[4,5-a]carbazole?

3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-2-yl]-10-phenylpyrazolo[4,5-a]carbazole has a molecular weight of 831.98 g/mol, XLogP of 14.07, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-2-yl]-10-phenylpyrazolo[4,5-a]carbazole is sourced from PubChem (CID 129303871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).