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

C163H101N9S3 — CID 160884383

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

2-dibenzothiophen-4-yl-4-[4-(4-phenanthren-9-ylnaphthalen-1-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-[4-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]-6-(2-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine (PubChem CID 160884383) has the molecular formula C163H101N9S3 and a molecular weight of 2281.86 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-4-[4-(4-phenanthren-9-ylnaphthalen-1-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-[4-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]-6-(2-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzothiophen-4-yl-4-[4-(4-phenanthren-9-ylnaphthalen-1-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-[4-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]-6-(2-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
• PubChem CID: 160884383
• Molecular Formula: C163H101N9S3
• Molecular Weight: 2281.86 g/mol
• Exact Mass: 2279.73
• IUPAC Name: 2-dibenzothiophen-4-yl-4-[4-(4-phenanthren-9-ylnaphthalen-1-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-[4-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]-6-(2-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
• SMILES: c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5-c5ccccc5)nc(-c5cccc6c5sc5ccccc56)n4)c4ccccc34)cc2)cc1.c1ccc(-c2ccccc2-c2nc(-c3ccc(-c4ccc(-c5cc6ccccc6c6ccccc56)c5ccccc45)cc3)nc(-c3cccc4c3sc3ccccc34)n2)cc1.c1ccc(-c2ccccc2-c2nc(-c3ccc(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4ccccc34)nc(-c3cccc4c3sc3ccccc34)n2)cc1
• InChI: InChI=1S/2C57H35N3S.C49H31N3S/c1-2-15-36(16-3-1)40-18-6-11-25-50(40)56-58-55(59-57(60-56)51-27-14-26-49-48-24-12-13-28-53(48)61-54(49)51)38-31-29-37(30-32-38)42-33-34-47(45-22-9-7-21-44(42)45)52-35-39-17-4-5-19-41(39)43-20-8-10-23-46(43)52;1-2-15-36(16-3-1)40-18-6-11-25-49(40)55-58-56(60-57(59-55)51-27-14-26-48-47-24-12-13-28-53(47)61-54(48)51)50-34-33-42(44-21-7-9-22-45(44)50)37-29-31-38(32-30-37)52-35-39-17-4-5-19-41(39)43-20-8-10-23-46(43)52;1-3-14-32(15-4-1)33-26-28-35(29-27-33)37-30-31-43(39-20-9-8-19-38(37)39)48-50-47(42-22-10-7-18-36(42)34-16-5-2-6-17-34)51-49(52-48)44-24-13-23-41-40-21-11-12-25-45(40)53-46(41)44/h2*1-35H;1-31H
• InChIKey: SNLDVMNRFWSDJB-UHFFFAOYSA-N
• XLogP: 44.80
• TPSA: 116.01 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2281.86
LogP ≤ 5	44.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

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

The IUPAC name of 2-dibenzothiophen-4-yl-4-[4-(4-phenanthren-9-ylnaphthalen-1-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-[4-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]-6-(2-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine (CID 160884383) is 2-dibenzothiophen-4-yl-4-[4-(4-phenanthren-9-ylnaphthalen-1-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-[4-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]-6-(2-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine.

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

The canonical SMILES for 2-dibenzothiophen-4-yl-4-[4-(4-phenanthren-9-ylnaphthalen-1-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-[4-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]-6-(2-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine is c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5-c5ccccc5)nc(-c5cccc6c5sc5ccccc56)n4)c4ccccc34)cc2)cc1.c1ccc(-c2ccccc2-c2nc(-c3ccc(-c4ccc(-c5cc6ccccc6c6ccccc56)c5ccccc45)cc3)nc(-c3cccc4c3sc3ccccc34)n2)cc1.c1ccc(-c2ccccc2-c2nc(-c3ccc(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4ccccc34)nc(-c3cccc4c3sc3ccccc34)n2)cc1.

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

The InChIKey is SNLDVMNRFWSDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C57H35N3S.C49H31N3S/c1-2-15-36(16-3-1)40-18-6-11-25-50(40)56-58-55(59-57(60-56)51-27-14-26-49-48-24-12-13-28-53(48)61-54(49)51)38-31-29-37(30-32-38)42-33-34-47(45-22-9-7-21-44(42)45)52-35-39-17-4-5-19-41(39)43-20-8-10-23-46(43)52;1-2-15-36(16-3-1)40-18-6-11-25-49(40)55-58-56(60-57(59-55)51-27-14-26-48-47-24-12-13-28-53(47)61-54(48)51)50-34-33-42(44-21-7-9-22-45(44)50)37-29-31-38(32-30-37)52-35-39-17-4-5-19-41(39)43-20-8-10-23-46(43)52;1-3-14-32(15-4-1)33-26-28-35(29-27-33)37-30-31-43(39-20-9-8-19-38(37)39)48-50-47(42-22-10-7-18-36(42)34-16-5-2-6-17-34)51-49(52-48)44-24-13-23-41-40-21-11-12-25-45(40)53-46(41)44/h2*1-35H;1-31H.

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

2-dibenzothiophen-4-yl-4-[4-(4-phenanthren-9-ylnaphthalen-1-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-[4-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]-6-(2-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine has a molecular weight of 2281.86 g/mol, XLogP of 44.80, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzothiophen-4-yl-4-[4-(4-phenanthren-9-ylnaphthalen-1-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-[4-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]-6-(2-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine is sourced from PubChem (CID 160884383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).