2-phenyl-4-(2-phenylphenyl)-6-[8-[3-(3-phenylphenyl)-2-[3-[2-phenyl-3-[4-phenyl-6-[8-[2-phenyl-3-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine

C114H72N6S2 — CID 155470904

About 2-phenyl-4-(2-phenylphenyl)-6-[8-[3-(3-phenylphenyl)-2-[3-[2-phenyl-3-[4-phenyl-6-[8-[2-phenyl-3-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine

2-phenyl-4-(2-phenylphenyl)-6-[8-[3-(3-phenylphenyl)-2-[3-[2-phenyl-3-[4-phenyl-6-[8-[2-phenyl-3-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine (PubChem CID 155470904) has the molecular formula C114H72N6S2 and a molecular weight of 1590.01 g/mol. Its IUPAC name is 2-phenyl-4-(2-phenylphenyl)-6-[8-[3-(3-phenylphenyl)-2-[3-[2-phenyl-3-[4-phenyl-6-[8-[2-phenyl-3-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-phenyl-4-(2-phenylphenyl)-6-[8-[3-(3-phenylphenyl)-2-[3-[2-phenyl-3-[4-phenyl-6-[8-[2-phenyl-3-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
• PubChem CID: 155470904
• Molecular Formula: C114H72N6S2
• Molecular Weight: 1590.01 g/mol
• Exact Mass: 1588.53
• IUPAC Name: 2-phenyl-4-(2-phenylphenyl)-6-[8-[3-(3-phenylphenyl)-2-[3-[2-phenyl-3-[4-phenyl-6-[8-[2-phenyl-3-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
• SMILES: c1ccc(-c2ccc(-c3cccc(-c4ccc5sc6cccc(-c7nc(-c8ccccc8)nc(-c8cccc(-c9cccc(-c%10c(-c%11cccc(-c%12ccccc%12)c%11)cccc%10-c%10ccc%11sc%12cccc(-c%13nc(-c%14ccccc%14)nc(-c%14ccccc%14-c%14ccccc%14)n%13)c%12c%11c%10)c9)c8-c8ccccc8)n7)c6c5c4)c3-c3ccccc3)cc2)cc1
• InChI: InChI=1S/C114H72N6S2/c1-8-31-73(32-9-1)75-61-63-77(64-62-75)89-51-26-53-92(104(89)78-37-14-4-15-38-78)85-65-67-100-98(71-85)108-97(58-30-60-103(108)121-100)114-118-110(81-43-20-7-21-44-81)116-112(120-114)95-56-28-55-90(105(95)79-39-16-5-17-40-79)84-47-25-48-87(70-84)106-91(83-46-24-45-82(69-83)74-33-10-2-11-34-74)52-27-54-93(106)86-66-68-101-99(72-86)107-96(57-29-59-102(107)122-101)113-117-109(80-41-18-6-19-42-80)115-111(119-113)94-50-23-22-49-88(94)76-35-12-3-13-36-76/h1-72H
• InChIKey: KDBPXXSDDZMUCA-UHFFFAOYSA-N
• XLogP: 31.13
• TPSA: 77.34 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 17
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1590.01
LogP ≤ 5	31.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(2-phenylphenyl)-6-[8-[3-(3-phenylphenyl)-2-[3-[2-phenyl-3-[4-phenyl-6-[8-[2-phenyl-3-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine?

The IUPAC name of 2-phenyl-4-(2-phenylphenyl)-6-[8-[3-(3-phenylphenyl)-2-[3-[2-phenyl-3-[4-phenyl-6-[8-[2-phenyl-3-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine (CID 155470904) is 2-phenyl-4-(2-phenylphenyl)-6-[8-[3-(3-phenylphenyl)-2-[3-[2-phenyl-3-[4-phenyl-6-[8-[2-phenyl-3-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine.

What is the SMILES notation for 2-phenyl-4-(2-phenylphenyl)-6-[8-[3-(3-phenylphenyl)-2-[3-[2-phenyl-3-[4-phenyl-6-[8-[2-phenyl-3-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine?

The canonical SMILES for 2-phenyl-4-(2-phenylphenyl)-6-[8-[3-(3-phenylphenyl)-2-[3-[2-phenyl-3-[4-phenyl-6-[8-[2-phenyl-3-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine is c1ccc(-c2ccc(-c3cccc(-c4ccc5sc6cccc(-c7nc(-c8ccccc8)nc(-c8cccc(-c9cccc(-c%10c(-c%11cccc(-c%12ccccc%12)c%11)cccc%10-c%10ccc%11sc%12cccc(-c%13nc(-c%14ccccc%14)nc(-c%14ccccc%14-c%14ccccc%14)n%13)c%12c%11c%10)c9)c8-c8ccccc8)n7)c6c5c4)c3-c3ccccc3)cc2)cc1.

What is the InChIKey of 2-phenyl-4-(2-phenylphenyl)-6-[8-[3-(3-phenylphenyl)-2-[3-[2-phenyl-3-[4-phenyl-6-[8-[2-phenyl-3-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine?

The InChIKey is KDBPXXSDDZMUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C114H72N6S2/c1-8-31-73(32-9-1)75-61-63-77(64-62-75)89-51-26-53-92(104(89)78-37-14-4-15-38-78)85-65-67-100-98(71-85)108-97(58-30-60-103(108)121-100)114-118-110(81-43-20-7-21-44-81)116-112(120-114)95-56-28-55-90(105(95)79-39-16-5-17-40-79)84-47-25-48-87(70-84)106-91(83-46-24-45-82(69-83)74-33-10-2-11-34-74)52-27-54-93(106)86-66-68-101-99(72-86)107-96(57-29-59-102(107)122-101)113-117-109(80-41-18-6-19-42-80)115-111(119-113)94-50-23-22-49-88(94)76-35-12-3-13-36-76/h1-72H.

What are the key properties of 2-phenyl-4-(2-phenylphenyl)-6-[8-[3-(3-phenylphenyl)-2-[3-[2-phenyl-3-[4-phenyl-6-[8-[2-phenyl-3-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine?

2-phenyl-4-(2-phenylphenyl)-6-[8-[3-(3-phenylphenyl)-2-[3-[2-phenyl-3-[4-phenyl-6-[8-[2-phenyl-3-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine has a molecular weight of 1590.01 g/mol, XLogP of 31.13, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-4-(2-phenylphenyl)-6-[8-[3-(3-phenylphenyl)-2-[3-[2-phenyl-3-[4-phenyl-6-[8-[2-phenyl-3-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine is sourced from PubChem (CID 155470904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).