2-dibenzothiophen-4-yl-4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine

C173H107N9S3 — CID 161120193

About 2-dibenzothiophen-4-yl-4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine

2-dibenzothiophen-4-yl-4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine (PubChem CID 161120193) has the molecular formula C173H107N9S3 and a molecular weight of 2408.02 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzothiophen-4-yl-4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine
• PubChem CID: 161120193
• Molecular Formula: C173H107N9S3
• Molecular Weight: 2408.02 g/mol
• Exact Mass: 2405.78
• IUPAC Name: 2-dibenzothiophen-4-yl-4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccc(-c5c6ccccc6c(-c6ccccc6-c6ccccc6)c6ccccc56)c5ccccc45)nc(-c4cccc5c4sc4ccccc45)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5c6ccccc6c(-c6ccccc6-c6ccccc6)c6ccccc56)cc4)nc(-c4cccc5c4sc4ccccc45)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)cc3)nc(-c3cccc4c3sc3ccccc34)n2)cc1
• InChI: InChI=1S/C63H39N3S.C59H37N3S.C51H31N3S/c1-3-18-40(19-4-1)41-34-36-43(37-35-41)61-64-62(66-63(65-61)56-32-17-31-54-47-25-15-16-33-57(47)67-60(54)56)55-39-38-53(45-23-8-9-24-46(45)55)59-51-29-13-11-27-49(51)58(50-28-12-14-30-52(50)59)48-26-10-7-22-44(48)42-20-5-2-6-21-42;1-3-16-38(17-4-1)39-30-34-42(35-31-39)57-60-58(62-59(61-57)52-28-15-27-51-45-21-13-14-29-53(45)63-56(51)52)43-36-32-41(33-37-43)54-47-23-9-11-25-49(47)55(50-26-12-10-24-48(50)54)46-22-8-7-20-44(46)40-18-5-2-6-19-40;1-2-15-34(16-3-1)49-52-50(54-51(53-49)44-26-13-25-43-37-19-10-11-27-45(37)55-48(43)44)35-30-28-33(29-31-35)46-39-20-6-8-22-41(39)47(42-23-9-7-21-40(42)46)38-24-12-17-32-14-4-5-18-36(32)38/h1-39H;1-37H;1-31H
• InChIKey: UKVRAXXXXUMYQJ-UHFFFAOYSA-N
• XLogP: 47.62
• TPSA: 116.01 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 19
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2408.02
LogP ≤ 5	47.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine?

The IUPAC name of 2-dibenzothiophen-4-yl-4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine (CID 161120193) is 2-dibenzothiophen-4-yl-4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine.

What is the SMILES notation for 2-dibenzothiophen-4-yl-4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine?

The canonical SMILES for 2-dibenzothiophen-4-yl-4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5c6ccccc6c(-c6ccccc6-c6ccccc6)c6ccccc56)c5ccccc45)nc(-c4cccc5c4sc4ccccc45)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5c6ccccc6c(-c6ccccc6-c6ccccc6)c6ccccc56)cc4)nc(-c4cccc5c4sc4ccccc45)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)cc3)nc(-c3cccc4c3sc3ccccc34)n2)cc1.

What is the InChIKey of 2-dibenzothiophen-4-yl-4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine?

The InChIKey is UKVRAXXXXUMYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39N3S.C59H37N3S.C51H31N3S/c1-3-18-40(19-4-1)41-34-36-43(37-35-41)61-64-62(66-63(65-61)56-32-17-31-54-47-25-15-16-33-57(47)67-60(54)56)55-39-38-53(45-23-8-9-24-46(45)55)59-51-29-13-11-27-49(51)58(50-28-12-14-30-52(50)59)48-26-10-7-22-44(48)42-20-5-2-6-21-42;1-3-16-38(17-4-1)39-30-34-42(35-31-39)57-60-58(62-59(61-57)52-28-15-27-51-45-21-13-14-29-53(45)63-56(51)52)43-36-32-41(33-37-43)54-47-23-9-11-25-49(47)55(50-26-12-10-24-48(50)54)46-22-8-7-20-44(46)40-18-5-2-6-19-40;1-2-15-34(16-3-1)49-52-50(54-51(53-49)44-26-13-25-43-37-19-10-11-27-45(37)55-48(43)44)35-30-28-33(29-31-35)46-39-20-6-8-22-41(39)47(42-23-9-7-21-40(42)46)38-24-12-17-32-14-4-5-18-36(32)38/h1-39H;1-37H;1-31H.

What are the key properties of 2-dibenzothiophen-4-yl-4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine?

2-dibenzothiophen-4-yl-4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine has a molecular weight of 2408.02 g/mol, XLogP of 47.62, 19 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-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 161120193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).