2-dibenzothiophen-4-yl-4-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(7-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine

C100H62N6S2 — CID 161003212

About 2-dibenzothiophen-4-yl-4-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(7-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine

2-dibenzothiophen-4-yl-4-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(7-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 161003212) has the molecular formula C100H62N6S2 and a molecular weight of 1411.77 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-4-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(7-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzothiophen-4-yl-4-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(7-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
• PubChem CID: 161003212
• Molecular Formula: C100H62N6S2
• Molecular Weight: 1411.77 g/mol
• Exact Mass: 1410.45
• IUPAC Name: 2-dibenzothiophen-4-yl-4-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(7-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccc5ccc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)cc5c4)nc(-c4cccc5c4sc4ccccc45)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc5ccc(-c6ccccc6)cc5c4)nc(-c4cccc5c4sc4ccccc45)n3)cc2)cc1
• InChI: InChI=1S/C57H35N3S.C43H27N3S/c1-3-14-36(15-4-1)37-26-30-40(31-27-37)55-58-56(60-57(59-55)50-24-13-23-49-44-18-11-12-25-51(44)61-54(49)50)42-33-29-38-28-32-41(34-43(38)35-42)53-47-21-9-7-19-45(47)52(39-16-5-2-6-17-39)46-20-8-10-22-48(46)53;1-3-10-28(11-4-1)30-18-22-32(23-19-30)41-44-42(34-25-21-31-20-24-33(26-35(31)27-34)29-12-5-2-6-13-29)46-43(45-41)38-16-9-15-37-36-14-7-8-17-39(36)47-40(37)38/h1-35H;1-27H
• InChIKey: TWDVLHRFOAFOIE-UHFFFAOYSA-N
• XLogP: 27.43
• TPSA: 77.34 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1411.77
LogP ≤ 5	27.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(7-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine?

The IUPAC name of 2-dibenzothiophen-4-yl-4-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(7-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine (CID 161003212) is 2-dibenzothiophen-4-yl-4-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(7-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine.

What is the SMILES notation for 2-dibenzothiophen-4-yl-4-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(7-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine?

The canonical SMILES for 2-dibenzothiophen-4-yl-4-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(7-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc5ccc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)cc5c4)nc(-c4cccc5c4sc4ccccc45)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc5ccc(-c6ccccc6)cc5c4)nc(-c4cccc5c4sc4ccccc45)n3)cc2)cc1.

What is the InChIKey of 2-dibenzothiophen-4-yl-4-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(7-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine?

The InChIKey is TWDVLHRFOAFOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N3S.C43H27N3S/c1-3-14-36(15-4-1)37-26-30-40(31-27-37)55-58-56(60-57(59-55)50-24-13-23-49-44-18-11-12-25-51(44)61-54(49)50)42-33-29-38-28-32-41(34-43(38)35-42)53-47-21-9-7-19-45(47)52(39-16-5-2-6-17-39)46-20-8-10-22-48(46)53;1-3-10-28(11-4-1)30-18-22-32(23-19-30)41-44-42(34-25-21-31-20-24-33(26-35(31)27-34)29-12-5-2-6-13-29)46-43(45-41)38-16-9-15-37-36-14-7-8-17-39(36)47-40(37)38/h1-35H;1-27H.

What are the key properties of 2-dibenzothiophen-4-yl-4-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(7-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine?

2-dibenzothiophen-4-yl-4-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(7-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 1411.77 g/mol, XLogP of 27.43, 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-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(7-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 161003212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).