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

C94H56N6S2 — CID 139441901

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

2-dibenzothiophen-4-yl-4-[6-[6-[4-(4-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-2-phenanthren-9-ylnaphthalen-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 139441901) has the molecular formula C94H56N6S2 and a molecular weight of 1333.66 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-4-[6-[6-[4-(4-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-2-phenanthren-9-ylnaphthalen-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzothiophen-4-yl-4-[6-[6-[4-(4-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-2-phenanthren-9-ylnaphthalen-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
• PubChem CID: 139441901
• Molecular Formula: C94H56N6S2
• Molecular Weight: 1333.66 g/mol
• Exact Mass: 1332.40
• IUPAC Name: 2-dibenzothiophen-4-yl-4-[6-[6-[4-(4-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-2-phenanthren-9-ylnaphthalen-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
• SMILES: c1ccc(-c2cccc(-c3nc(-c4ccc(-c5cccc6ccccc56)cc4)nc(-c4cccc5c4sc4ccc(-c6ccc7c(-c8nc(-c9cccc(-c%10ccccc%10)c9)nc(-c9cccc%10c9sc9ccccc9%10)n8)c(-c8cc9ccccc9c9ccccc89)ccc7c6)cc45)n3)c2)cc1
• InChI: InChI=1S/C94H56N6S2/c1-3-20-57(21-4-1)62-27-15-29-68(53-62)90-95-89(61-44-42-60(43-45-61)71-36-17-26-59-24-7-9-31-70(59)71)96-92(97-90)81-40-19-38-79-83-55-65(48-51-85(83)102-88(79)81)64-46-49-73-67(52-64)47-50-77(82-56-66-25-8-10-32-72(66)74-33-11-12-34-75(74)82)86(73)94-99-91(69-30-16-28-63(54-69)58-22-5-2-6-23-58)98-93(100-94)80-39-18-37-78-76-35-13-14-41-84(76)101-87(78)80/h1-56H
• InChIKey: CCSUWSYOTKWACD-UHFFFAOYSA-N
• XLogP: 25.74
• TPSA: 77.34 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1333.66
LogP ≤ 5	25.74
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-[6-[6-[4-(4-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-2-phenanthren-9-ylnaphthalen-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine?

The IUPAC name of 2-dibenzothiophen-4-yl-4-[6-[6-[4-(4-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-2-phenanthren-9-ylnaphthalen-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine (CID 139441901) is 2-dibenzothiophen-4-yl-4-[6-[6-[4-(4-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-2-phenanthren-9-ylnaphthalen-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine.

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

The canonical SMILES for 2-dibenzothiophen-4-yl-4-[6-[6-[4-(4-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-2-phenanthren-9-ylnaphthalen-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccc(-c5cccc6ccccc56)cc4)nc(-c4cccc5c4sc4ccc(-c6ccc7c(-c8nc(-c9cccc(-c%10ccccc%10)c9)nc(-c9cccc%10c9sc9ccccc9%10)n8)c(-c8cc9ccccc9c9ccccc89)ccc7c6)cc45)n3)c2)cc1.

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

The InChIKey is CCSUWSYOTKWACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H56N6S2/c1-3-20-57(21-4-1)62-27-15-29-68(53-62)90-95-89(61-44-42-60(43-45-61)71-36-17-26-59-24-7-9-31-70(59)71)96-92(97-90)81-40-19-38-79-83-55-65(48-51-85(83)102-88(79)81)64-46-49-73-67(52-64)47-50-77(82-56-66-25-8-10-32-72(66)74-33-11-12-34-75(74)82)86(73)94-99-91(69-30-16-28-63(54-69)58-22-5-2-6-23-58)98-93(100-94)80-39-18-37-78-76-35-13-14-41-84(76)101-87(78)80/h1-56H.

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

2-dibenzothiophen-4-yl-4-[6-[6-[4-(4-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-2-phenanthren-9-ylnaphthalen-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 1333.66 g/mol, XLogP of 25.74, 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-[6-[6-[4-(4-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-2-phenanthren-9-ylnaphthalen-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 139441901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).