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

C79H49N7 — CID 138725783

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

5-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)carbazole (PubChem CID 138725783) has the molecular formula C79H49N7 and a molecular weight of 1096.31 g/mol. Its IUPAC name is 5-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)carbazole.

Molecular Properties

• Compound Name: 5-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)carbazole
• PubChem CID: 138725783
• Molecular Formula: C79H49N7
• Molecular Weight: 1096.31 g/mol
• Exact Mass: 1095.40
• IUPAC Name: 5-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)carbazole
• SMILES: c1ccc(-c2ccc3c(c2)c2c(-c4cccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)n5)c4)cccc2n3-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
• InChI: InChI=1S/C79H49N7/c1-5-22-50(23-6-1)54-42-45-70-65(48-54)72-60(37-21-41-71(72)86(70)59-43-44-64-63-36-15-18-40-68(63)79(69(64)49-59)66-38-16-13-34-61(66)62-35-14-17-39-67(62)79)55-30-19-31-56(46-55)76-83-75(53-28-11-4-12-29-53)84-78(85-76)58-33-20-32-57(47-58)77-81-73(51-24-7-2-8-25-51)80-74(82-77)52-26-9-3-10-27-52/h1-49H
• InChIKey: OIJIYHHHRQAFSJ-UHFFFAOYSA-N
• XLogP: 18.83
• TPSA: 82.27 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1096.31
LogP ≤ 5	18.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)carbazole (CID 138725783) is 5-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)carbazole.

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

The canonical SMILES for 5-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)carbazole is c1ccc(-c2ccc3c(c2)c2c(-c4cccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)n5)c4)cccc2n3-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.

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

The InChIKey is OIJIYHHHRQAFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H49N7/c1-5-22-50(23-6-1)54-42-45-70-65(48-54)72-60(37-21-41-71(72)86(70)59-43-44-64-63-36-15-18-40-68(63)79(69(64)49-59)66-38-16-13-34-61(66)62-35-14-17-39-67(62)79)55-30-19-31-56(46-55)76-83-75(53-28-11-4-12-29-53)84-78(85-76)58-33-20-32-57(47-58)77-81-73(51-24-7-2-8-25-51)80-74(82-77)52-26-9-3-10-27-52/h1-49H.

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

5-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)carbazole has a molecular weight of 1096.31 g/mol, XLogP of 18.83, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)carbazole is sourced from PubChem (CID 138725783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).