2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylphenyl)-6-[7-[3-[3-[4-[4-(4-phenylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]phenyl]naphthalen-1-yl]-1,3,5-triazine

C110H66N6S2 — CID 139441960

About 2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylphenyl)-6-[7-[3-[3-[4-[4-(4-phenylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]phenyl]naphthalen-1-yl]-1,3,5-triazine

2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylphenyl)-6-[7-[3-[3-[4-[4-(4-phenylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]phenyl]naphthalen-1-yl]-1,3,5-triazine (PubChem CID 139441960) has the molecular formula C110H66N6S2 and a molecular weight of 1535.91 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylphenyl)-6-[7-[3-[3-[4-[4-(4-phenylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]phenyl]naphthalen-1-yl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylphenyl)-6-[7-[3-[3-[4-[4-(4-phenylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]phenyl]naphthalen-1-yl]-1,3,5-triazine
• PubChem CID: 139441960
• Molecular Formula: C110H66N6S2
• Molecular Weight: 1535.91 g/mol
• Exact Mass: 1534.48
• IUPAC Name: 2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylphenyl)-6-[7-[3-[3-[4-[4-(4-phenylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]phenyl]naphthalen-1-yl]-1,3,5-triazine
• SMILES: c1ccc(-c2ccc3ccc(-c4ccc(-c5nc(-c6ccc(-c7ccccc7)c7ccccc67)nc(-c6cc(-c7cccc(-c8cccc(-c9ccc%10cccc(-c%11nc(-c%12ccc(-c%13cccc%14ccccc%13%14)cc%12)nc(-c%12cccc%13c%12sc%12ccccc%12%13)n%11)c%10c9)c8)c7)cc7c6sc6ccccc67)n5)c5ccccc45)cc3c2)cc1
• InChI: InChI=1S/C110H66N6S2/c1-3-22-67(23-4-1)78-53-46-68-47-55-80(63-81(68)62-78)86-57-59-96(90-37-12-10-35-88(86)90)108-113-107(95-58-56-85(69-24-5-2-6-25-69)87-34-9-11-36-89(87)95)115-110(116-108)100-66-82(65-99-92-39-14-16-45-102(92)118-104(99)100)77-32-18-30-75(61-77)74-29-17-31-76(60-74)79-54-50-71-28-20-42-94(98(71)64-79)106-111-105(73-51-48-72(49-52-73)84-40-19-27-70-26-7-8-33-83(70)84)112-109(114-106)97-43-21-41-93-91-38-13-15-44-101(91)117-103(93)97/h1-66H
• InChIKey: UTUZEYNZPKSOTP-UHFFFAOYSA-N
• XLogP: 30.23
• TPSA: 77.34 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1535.91
LogP ≤ 5	30.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylphenyl)-6-[7-[3-[3-[4-[4-(4-phenylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]phenyl]naphthalen-1-yl]-1,3,5-triazine?

The IUPAC name of 2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylphenyl)-6-[7-[3-[3-[4-[4-(4-phenylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]phenyl]naphthalen-1-yl]-1,3,5-triazine (CID 139441960) is 2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylphenyl)-6-[7-[3-[3-[4-[4-(4-phenylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]phenyl]naphthalen-1-yl]-1,3,5-triazine.

What is the SMILES notation for 2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylphenyl)-6-[7-[3-[3-[4-[4-(4-phenylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]phenyl]naphthalen-1-yl]-1,3,5-triazine?

The canonical SMILES for 2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylphenyl)-6-[7-[3-[3-[4-[4-(4-phenylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]phenyl]naphthalen-1-yl]-1,3,5-triazine is c1ccc(-c2ccc3ccc(-c4ccc(-c5nc(-c6ccc(-c7ccccc7)c7ccccc67)nc(-c6cc(-c7cccc(-c8cccc(-c9ccc%10cccc(-c%11nc(-c%12ccc(-c%13cccc%14ccccc%13%14)cc%12)nc(-c%12cccc%13c%12sc%12ccccc%12%13)n%11)c%10c9)c8)c7)cc7c6sc6ccccc67)n5)c5ccccc45)cc3c2)cc1.

What is the InChIKey of 2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylphenyl)-6-[7-[3-[3-[4-[4-(4-phenylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]phenyl]naphthalen-1-yl]-1,3,5-triazine?

The InChIKey is UTUZEYNZPKSOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C110H66N6S2/c1-3-22-67(23-4-1)78-53-46-68-47-55-80(63-81(68)62-78)86-57-59-96(90-37-12-10-35-88(86)90)108-113-107(95-58-56-85(69-24-5-2-6-25-69)87-34-9-11-36-89(87)95)115-110(116-108)100-66-82(65-99-92-39-14-16-45-102(92)118-104(99)100)77-32-18-30-75(61-77)74-29-17-31-76(60-74)79-54-50-71-28-20-42-94(98(71)64-79)106-111-105(73-51-48-72(49-52-73)84-40-19-27-70-26-7-8-33-83(70)84)112-109(114-106)97-43-21-41-93-91-38-13-15-44-101(91)117-103(93)97/h1-66H.

What are the key properties of 2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylphenyl)-6-[7-[3-[3-[4-[4-(4-phenylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]phenyl]naphthalen-1-yl]-1,3,5-triazine?

2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylphenyl)-6-[7-[3-[3-[4-[4-(4-phenylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]phenyl]naphthalen-1-yl]-1,3,5-triazine has a molecular weight of 1535.91 g/mol, XLogP of 30.23, 13 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-1-ylphenyl)-6-[7-[3-[3-[4-[4-(4-phenylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]phenyl]naphthalen-1-yl]-1,3,5-triazine is sourced from PubChem (CID 139441960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).