3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-9-(9,9'-spirobi[fluorene]-2-yl)carbazole

C82H50N4S — CID 154602202

About 3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-9-(9,9'-spirobi[fluorene]-2-yl)carbazole

3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-9-(9,9'-spirobi[fluorene]-2-yl)carbazole (PubChem CID 154602202) has the molecular formula C82H50N4S and a molecular weight of 1123.40 g/mol. Its IUPAC name is 3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-9-(9,9'-spirobi[fluorene]-2-yl)carbazole.

Molecular Properties

• Compound Name: 3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-9-(9,9'-spirobi[fluorene]-2-yl)carbazole
• PubChem CID: 154602202
• Molecular Formula: C82H50N4S
• Molecular Weight: 1123.40 g/mol
• Exact Mass: 1122.38
• IUPAC Name: 3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-9-(9,9'-spirobi[fluorene]-2-yl)carbazole
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc6sc7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccc9c(c8)C8(c%10ccccc%10-c%10ccccc%108)c8ccccc8-9)cc7c56)n4)c3)c2)cc1
• InChI: InChI=1S/C82H50N4S/c1-4-20-51(21-5-1)58-45-59(52-22-6-2-7-23-52)47-60(46-58)54-26-18-27-57(44-54)80-83-79(53-24-8-3-9-25-53)84-81(85-80)67-32-19-37-77-78(67)69-49-56(39-43-76(69)87-77)55-38-42-75-68(48-55)66-31-13-17-36-74(66)86(75)61-40-41-65-64-30-12-16-35-72(64)82(73(65)50-61)70-33-14-10-28-62(70)63-29-11-15-34-71(63)82/h1-50H
• InChIKey: UZKYJJYNMXNLLA-UHFFFAOYSA-N
• XLogP: 21.35
• TPSA: 43.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1123.40
LogP ≤ 5	21.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-9-(9,9'-spirobi[fluorene]-2-yl)carbazole?

The IUPAC name of 3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-9-(9,9'-spirobi[fluorene]-2-yl)carbazole (CID 154602202) is 3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-9-(9,9'-spirobi[fluorene]-2-yl)carbazole.

What is the SMILES notation for 3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-9-(9,9'-spirobi[fluorene]-2-yl)carbazole?

The canonical SMILES for 3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-9-(9,9'-spirobi[fluorene]-2-yl)carbazole is c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc6sc7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccc9c(c8)C8(c%10ccccc%10-c%10ccccc%108)c8ccccc8-9)cc7c56)n4)c3)c2)cc1.

What is the InChIKey of 3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-9-(9,9'-spirobi[fluorene]-2-yl)carbazole?

The InChIKey is UZKYJJYNMXNLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H50N4S/c1-4-20-51(21-5-1)58-45-59(52-22-6-2-7-23-52)47-60(46-58)54-26-18-27-57(44-54)80-83-79(53-24-8-3-9-25-53)84-81(85-80)67-32-19-37-77-78(67)69-49-56(39-43-76(69)87-77)55-38-42-75-68(48-55)66-31-13-17-36-74(66)86(75)61-40-41-65-64-30-12-16-35-72(64)82(73(65)50-61)70-33-14-10-28-62(70)63-29-11-15-34-71(63)82/h1-50H.

What are the key properties of 3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-9-(9,9'-spirobi[fluorene]-2-yl)carbazole?

3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-9-(9,9'-spirobi[fluorene]-2-yl)carbazole has a molecular weight of 1123.40 g/mol, XLogP of 21.35, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-9-(9,9'-spirobi[fluorene]-2-yl)carbazole is sourced from PubChem (CID 154602202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).