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

C106H62N6S2 — CID 139441945

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

2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-[3-[3-[6-[4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenanthren-9-yl]phenyl]-1,3,5-triazine (PubChem CID 139441945) has the molecular formula C106H62N6S2 and a molecular weight of 1483.84 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-[3-[3-[6-[4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(3-naphthalen-1-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-(4-naphthalen-2-ylnaphthalen-1-yl)-6-[3-[3-[6-[4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenanthren-9-yl]phenyl]-1,3,5-triazine
• PubChem CID: 139441945
• Molecular Formula: C106H62N6S2
• Molecular Weight: 1483.84 g/mol
• Exact Mass: 1482.45
• IUPAC Name: 2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-[3-[3-[6-[4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenanthren-9-yl]phenyl]-1,3,5-triazine
• SMILES: c1cc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)c4ccccc34)nc(-c3cccc4c3sc3ccc(-c5ccc6cc(-c7cccc(-c8nc(-c9ccc(-c%10ccc%11ccccc%11c%10)c%10ccccc9%10)nc(-c9cccc%10c9sc9ccccc9%10)n8)c7)c7ccccc7c6c5)cc34)n2)cc(-c2cccc3ccccc23)c1
• InChI: InChI=1S/C106H62N6S2/c1-3-23-66-56-72(47-44-63(66)20-1)79-51-53-90(83-33-9-7-31-81(79)83)103-107-101(75-28-15-26-70(58-75)78-38-17-25-65-22-5-6-30-77(65)78)109-106(112-103)93-42-19-40-89-96-61-69(50-55-98(96)114-100(89)93)68-46-49-74-62-95(86-36-12-11-35-85(86)94(74)60-68)71-27-16-29-76(59-71)102-108-104(111-105(110-102)92-41-18-39-88-87-37-13-14-43-97(87)113-99(88)92)91-54-52-80(82-32-8-10-34-84(82)91)73-48-45-64-21-2-4-24-67(64)57-73/h1-62H
• InChIKey: QNZHIQMFEXYXPU-UHFFFAOYSA-N
• XLogP: 29.20
• TPSA: 77.34 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1483.84
LogP ≤ 5	29.20
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-(4-naphthalen-2-ylnaphthalen-1-yl)-6-[3-[3-[6-[4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(3-naphthalen-1-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-(4-naphthalen-2-ylnaphthalen-1-yl)-6-[3-[3-[6-[4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenanthren-9-yl]phenyl]-1,3,5-triazine (CID 139441945) is 2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-[3-[3-[6-[4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(3-naphthalen-1-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-(4-naphthalen-2-ylnaphthalen-1-yl)-6-[3-[3-[6-[4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(3-naphthalen-1-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-(4-naphthalen-2-ylnaphthalen-1-yl)-6-[3-[3-[6-[4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenanthren-9-yl]phenyl]-1,3,5-triazine is c1cc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)c4ccccc34)nc(-c3cccc4c3sc3ccc(-c5ccc6cc(-c7cccc(-c8nc(-c9ccc(-c%10ccc%11ccccc%11c%10)c%10ccccc9%10)nc(-c9cccc%10c9sc9ccccc9%10)n8)c7)c7ccccc7c6c5)cc34)n2)cc(-c2cccc3ccccc23)c1.

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

The InChIKey is QNZHIQMFEXYXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H62N6S2/c1-3-23-66-56-72(47-44-63(66)20-1)79-51-53-90(83-33-9-7-31-81(79)83)103-107-101(75-28-15-26-70(58-75)78-38-17-25-65-22-5-6-30-77(65)78)109-106(112-103)93-42-19-40-89-96-61-69(50-55-98(96)114-100(89)93)68-46-49-74-62-95(86-36-12-11-35-85(86)94(74)60-68)71-27-16-29-76(59-71)102-108-104(111-105(110-102)92-41-18-39-88-87-37-13-14-43-97(87)113-99(88)92)91-54-52-80(82-32-8-10-34-84(82)91)73-48-45-64-21-2-4-24-67(64)57-73/h1-62H.

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

2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-[3-[3-[6-[4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenanthren-9-yl]phenyl]-1,3,5-triazine has a molecular weight of 1483.84 g/mol, XLogP of 29.20, 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-(4-naphthalen-2-ylnaphthalen-1-yl)-6-[3-[3-[6-[4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenanthren-9-yl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 139441945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).