3-dibenzothiophen-4-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzothiophen-4-yl-9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole

C108H66N8S2 — CID 160959222

About 3-dibenzothiophen-4-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzothiophen-4-yl-9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole

3-dibenzothiophen-4-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzothiophen-4-yl-9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole (PubChem CID 160959222) has the molecular formula C108H66N8S2 and a molecular weight of 1539.91 g/mol. Its IUPAC name is 3-dibenzothiophen-4-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzothiophen-4-yl-9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole.

Molecular Properties

• Compound Name: 3-dibenzothiophen-4-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzothiophen-4-yl-9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole
• PubChem CID: 160959222
• Molecular Formula: C108H66N8S2
• Molecular Weight: 1539.91 g/mol
• Exact Mass: 1538.49
• IUPAC Name: 3-dibenzothiophen-4-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzothiophen-4-yl-9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7cccc8c7sc7ccccc78)ccc65)cc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5ccccc5c5ccc(-n6c7ccccc7c7cc(-c8cccc9c8sc8ccccc89)ccc76)cc5c4c3)n2)cc1
• InChI: InChI=1S/C57H34N4S.C51H32N4S/c1-3-14-35(15-4-1)55-58-56(36-16-5-2-6-17-36)60-57(59-55)38-26-29-43-41-18-7-8-19-42(41)44-30-28-39(34-49(44)48(43)33-38)61-51-24-11-9-20-45(51)50-32-37(27-31-52(50)61)40-22-13-23-47-46-21-10-12-25-53(46)62-54(40)47;1-3-12-35(13-4-1)49-52-50(36-14-5-2-6-15-36)54-51(53-49)37-24-22-33(23-25-37)34-26-29-39(30-27-34)55-45-20-9-7-16-41(45)44-32-38(28-31-46(44)55)40-18-11-19-43-42-17-8-10-21-47(42)56-48(40)43/h1-34H;1-32H
• InChIKey: SWUJZDPUYGLDOU-UHFFFAOYSA-N
• XLogP: 29.14
• TPSA: 87.20 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1539.91
LogP ≤ 5	29.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-4-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzothiophen-4-yl-9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole?

The IUPAC name of 3-dibenzothiophen-4-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzothiophen-4-yl-9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole (CID 160959222) is 3-dibenzothiophen-4-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzothiophen-4-yl-9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole.

What is the SMILES notation for 3-dibenzothiophen-4-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzothiophen-4-yl-9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole?

The canonical SMILES for 3-dibenzothiophen-4-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzothiophen-4-yl-9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7cccc8c7sc7ccccc78)ccc65)cc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5ccccc5c5ccc(-n6c7ccccc7c7cc(-c8cccc9c8sc8ccccc89)ccc76)cc5c4c3)n2)cc1.

What is the InChIKey of 3-dibenzothiophen-4-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzothiophen-4-yl-9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole?

The InChIKey is SWUJZDPUYGLDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34N4S.C51H32N4S/c1-3-14-35(15-4-1)55-58-56(36-16-5-2-6-17-36)60-57(59-55)38-26-29-43-41-18-7-8-19-42(41)44-30-28-39(34-49(44)48(43)33-38)61-51-24-11-9-20-45(51)50-32-37(27-31-52(50)61)40-22-13-23-47-46-21-10-12-25-53(46)62-54(40)47;1-3-12-35(13-4-1)49-52-50(36-14-5-2-6-15-36)54-51(53-49)37-24-22-33(23-25-37)34-26-29-39(30-27-34)55-45-20-9-7-16-41(45)44-32-38(28-31-46(44)55)40-18-11-19-43-42-17-8-10-21-47(42)56-48(40)43/h1-34H;1-32H.

What are the key properties of 3-dibenzothiophen-4-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzothiophen-4-yl-9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole?

3-dibenzothiophen-4-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzothiophen-4-yl-9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole has a molecular weight of 1539.91 g/mol, XLogP of 29.14, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-dibenzothiophen-4-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzothiophen-4-yl-9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole is sourced from PubChem (CID 160959222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).