2-dibenzothiophen-4-yl-4-(3-naphthalen-1-ylphenyl)-6-[4-[6-[6-[4-(3-naphthalen-1-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenanthren-9-yl]phenyl]-1,3,5-triazine

C98H58N6S2 — CID 163881964

About 2-dibenzothiophen-4-yl-4-(3-naphthalen-1-ylphenyl)-6-[4-[6-[6-[4-(3-naphthalen-1-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenanthren-9-yl]phenyl]-1,3,5-triazine

2-dibenzothiophen-4-yl-4-(3-naphthalen-1-ylphenyl)-6-[4-[6-[6-[4-(3-naphthalen-1-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenanthren-9-yl]phenyl]-1,3,5-triazine (PubChem CID 163881964) has the molecular formula C98H58N6S2 and a molecular weight of 1383.72 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-4-(3-naphthalen-1-ylphenyl)-6-[4-[6-[6-[4-(3-naphthalen-1-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenanthren-9-yl]phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzothiophen-4-yl-4-(3-naphthalen-1-ylphenyl)-6-[4-[6-[6-[4-(3-naphthalen-1-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenanthren-9-yl]phenyl]-1,3,5-triazine
• PubChem CID: 163881964
• Molecular Formula: C98H58N6S2
• Molecular Weight: 1383.72 g/mol
• Exact Mass: 1382.42
• IUPAC Name: 2-dibenzothiophen-4-yl-4-(3-naphthalen-1-ylphenyl)-6-[4-[6-[6-[4-(3-naphthalen-1-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenanthren-9-yl]phenyl]-1,3,5-triazine
• SMILES: c1cc(-c2nc(-c3ccc(-c4cc5ccccc5c5cc(-c6ccc7sc8c(-c9nc(-c%10ccc(-c%11ccc%12ccccc%12c%11)cc%10)nc(-c%10cccc(-c%11cccc%12ccccc%11%12)c%10)n9)cccc8c7c6)ccc45)cc3)nc(-c3cccc4c3sc3ccccc34)n2)cc(-c2cccc3ccccc23)c1
• InChI: InChI=1S/C98H58N6S2/c1-2-20-66-53-67(48-41-59(66)17-1)60-39-44-64(45-40-60)93-99-95(73-26-11-24-70(54-73)77-32-13-22-61-18-3-6-28-75(61)77)104-98(101-93)85-37-16-35-83-88-57-69(50-52-90(88)106-92(83)85)68-49-51-80-86(58-72-21-5-8-30-79(72)87(80)56-68)63-42-46-65(47-43-63)94-100-96(74-27-12-25-71(55-74)78-33-14-23-62-19-4-7-29-76(62)78)103-97(102-94)84-36-15-34-82-81-31-9-10-38-89(81)105-91(82)84/h1-58H
• InChIKey: PUADCMHRZDIWNH-UHFFFAOYSA-N
• XLogP: 26.90
• TPSA: 77.34 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1383.72
LogP ≤ 5	26.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-4-(3-naphthalen-1-ylphenyl)-6-[4-[6-[6-[4-(3-naphthalen-1-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenanthren-9-yl]phenyl]-1,3,5-triazine?

The IUPAC name of 2-dibenzothiophen-4-yl-4-(3-naphthalen-1-ylphenyl)-6-[4-[6-[6-[4-(3-naphthalen-1-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenanthren-9-yl]phenyl]-1,3,5-triazine (CID 163881964) is 2-dibenzothiophen-4-yl-4-(3-naphthalen-1-ylphenyl)-6-[4-[6-[6-[4-(3-naphthalen-1-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenanthren-9-yl]phenyl]-1,3,5-triazine.

What is the SMILES notation for 2-dibenzothiophen-4-yl-4-(3-naphthalen-1-ylphenyl)-6-[4-[6-[6-[4-(3-naphthalen-1-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenanthren-9-yl]phenyl]-1,3,5-triazine?

The canonical SMILES for 2-dibenzothiophen-4-yl-4-(3-naphthalen-1-ylphenyl)-6-[4-[6-[6-[4-(3-naphthalen-1-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenanthren-9-yl]phenyl]-1,3,5-triazine is c1cc(-c2nc(-c3ccc(-c4cc5ccccc5c5cc(-c6ccc7sc8c(-c9nc(-c%10ccc(-c%11ccc%12ccccc%12c%11)cc%10)nc(-c%10cccc(-c%11cccc%12ccccc%11%12)c%10)n9)cccc8c7c6)ccc45)cc3)nc(-c3cccc4c3sc3ccccc34)n2)cc(-c2cccc3ccccc23)c1.

What is the InChIKey of 2-dibenzothiophen-4-yl-4-(3-naphthalen-1-ylphenyl)-6-[4-[6-[6-[4-(3-naphthalen-1-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenanthren-9-yl]phenyl]-1,3,5-triazine?

The InChIKey is PUADCMHRZDIWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H58N6S2/c1-2-20-66-53-67(48-41-59(66)17-1)60-39-44-64(45-40-60)93-99-95(73-26-11-24-70(54-73)77-32-13-22-61-18-3-6-28-75(61)77)104-98(101-93)85-37-16-35-83-88-57-69(50-52-90(88)106-92(83)85)68-49-51-80-86(58-72-21-5-8-30-79(72)87(80)56-68)63-42-46-65(47-43-63)94-100-96(74-27-12-25-71(55-74)78-33-14-23-62-19-4-7-29-76(62)78)103-97(102-94)84-36-15-34-82-81-31-9-10-38-89(81)105-91(82)84/h1-58H.

What are the key properties of 2-dibenzothiophen-4-yl-4-(3-naphthalen-1-ylphenyl)-6-[4-[6-[6-[4-(3-naphthalen-1-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenanthren-9-yl]phenyl]-1,3,5-triazine?

2-dibenzothiophen-4-yl-4-(3-naphthalen-1-ylphenyl)-6-[4-[6-[6-[4-(3-naphthalen-1-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenanthren-9-yl]phenyl]-1,3,5-triazine has a molecular weight of 1383.72 g/mol, XLogP of 26.90, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzothiophen-4-yl-4-(3-naphthalen-1-ylphenyl)-6-[4-[6-[6-[4-(3-naphthalen-1-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenanthren-9-yl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 163881964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).