2,4-diphenyl-6-spiro[cyclohexane-1,9'-fluorene]-4'-yl-1,3,5-triazine;3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole

C111H77N11S — CID 159013765

About 2,4-diphenyl-6-spiro[cyclohexane-1,9'-fluorene]-4'-yl-1,3,5-triazine;3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole

2,4-diphenyl-6-spiro[cyclohexane-1,9'-fluorene]-4'-yl-1,3,5-triazine;3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole (PubChem CID 159013765) has the molecular formula C111H77N11S and a molecular weight of 1596.98 g/mol. Its IUPAC name is 2,4-diphenyl-6-spiro[cyclohexane-1,9'-fluorene]-4'-yl-1,3,5-triazine;3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole.

Molecular Properties

• Compound Name: 2,4-diphenyl-6-spiro[cyclohexane-1,9'-fluorene]-4'-yl-1,3,5-triazine;3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
• PubChem CID: 159013765
• Molecular Formula: C111H77N11S
• Molecular Weight: 1596.98 g/mol
• Exact Mass: 1595.61
• IUPAC Name: 2,4-diphenyl-6-spiro[cyclohexane-1,9'-fluorene]-4'-yl-1,3,5-triazine;3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4sc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3ccccc3C43CCCCC3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3c3ccccc3n4-c3ccccc3)n2)cc1
• InChI: InChI=1S/C45H28N4S.C33H22N4.C33H27N3/c1-4-14-29(15-5-1)43-46-44(30-16-6-2-7-17-30)48-45(47-43)36-26-25-33(42-41(36)35-21-11-13-23-40(35)50-42)31-24-27-39-37(28-31)34-20-10-12-22-38(34)49(39)32-18-8-3-9-19-32;1-4-13-23(14-5-1)31-34-32(24-15-6-2-7-16-24)36-33(35-31)27-20-12-22-29-30(27)26-19-10-11-21-28(26)37(29)25-17-8-3-9-18-25;1-4-13-23(14-5-1)30-34-31(24-15-6-2-7-16-24)36-32(35-30)26-18-12-20-28-29(26)25-17-8-9-19-27(25)33(28)21-10-3-11-22-33/h1-28H;1-22H;1-2,4-9,12-20H,3,10-11,21-22H2
• InChIKey: JSVBYKAIQHESFJ-UHFFFAOYSA-N
• XLogP: 28.08
• TPSA: 125.87 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1596.98
LogP ≤ 5	28.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-spiro[cyclohexane-1,9'-fluorene]-4'-yl-1,3,5-triazine;3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole?

The IUPAC name of 2,4-diphenyl-6-spiro[cyclohexane-1,9'-fluorene]-4'-yl-1,3,5-triazine;3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole (CID 159013765) is 2,4-diphenyl-6-spiro[cyclohexane-1,9'-fluorene]-4'-yl-1,3,5-triazine;3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole.

What is the SMILES notation for 2,4-diphenyl-6-spiro[cyclohexane-1,9'-fluorene]-4'-yl-1,3,5-triazine;3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole?

The canonical SMILES for 2,4-diphenyl-6-spiro[cyclohexane-1,9'-fluorene]-4'-yl-1,3,5-triazine;3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4sc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3ccccc3C43CCCCC3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3c3ccccc3n4-c3ccccc3)n2)cc1.

What is the InChIKey of 2,4-diphenyl-6-spiro[cyclohexane-1,9'-fluorene]-4'-yl-1,3,5-triazine;3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole?

The InChIKey is JSVBYKAIQHESFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4S.C33H22N4.C33H27N3/c1-4-14-29(15-5-1)43-46-44(30-16-6-2-7-17-30)48-45(47-43)36-26-25-33(42-41(36)35-21-11-13-23-40(35)50-42)31-24-27-39-37(28-31)34-20-10-12-22-38(34)49(39)32-18-8-3-9-19-32;1-4-13-23(14-5-1)31-34-32(24-15-6-2-7-16-24)36-33(35-31)27-20-12-22-29-30(27)26-19-10-11-21-28(26)37(29)25-17-8-3-9-18-25;1-4-13-23(14-5-1)30-34-31(24-15-6-2-7-16-24)36-32(35-30)26-18-12-20-28-29(26)25-17-8-9-19-27(25)33(28)21-10-3-11-22-33/h1-28H;1-22H;1-2,4-9,12-20H,3,10-11,21-22H2.

What are the key properties of 2,4-diphenyl-6-spiro[cyclohexane-1,9'-fluorene]-4'-yl-1,3,5-triazine;3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole?

2,4-diphenyl-6-spiro[cyclohexane-1,9'-fluorene]-4'-yl-1,3,5-triazine;3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole has a molecular weight of 1596.98 g/mol, XLogP of 28.08, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-diphenyl-6-spiro[cyclohexane-1,9'-fluorene]-4'-yl-1,3,5-triazine;3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole is sourced from PubChem (CID 159013765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).