2-dibenzothiophen-4-yl-4-phenyl-6-[2-[3-[2-[3-[4-[4-phenyl-6-[2-[4-[4-[3-[4-[4-phenyl-6-[2-[2-(2-phenylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]phenyl]naphthalen-1-yl]naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]phenyl]naphthalen-1-yl]phenanthren-9-yl]naphthalen-1-yl]-1,3,5-triazine

C171H101N9S3 — CID 155481270

About 2-dibenzothiophen-4-yl-4-phenyl-6-[2-[3-[2-[3-[4-[4-phenyl-6-[2-[4-[4-[3-[4-[4-phenyl-6-[2-[2-(2-phenylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]phenyl]naphthalen-1-yl]naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]phenyl]naphthalen-1-yl]phenanthren-9-yl]naphthalen-1-yl]-1,3,5-triazine

2-dibenzothiophen-4-yl-4-phenyl-6-[2-[3-[2-[3-[4-[4-phenyl-6-[2-[4-[4-[3-[4-[4-phenyl-6-[2-[2-(2-phenylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]phenyl]naphthalen-1-yl]naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]phenyl]naphthalen-1-yl]phenanthren-9-yl]naphthalen-1-yl]-1,3,5-triazine (PubChem CID 155481270) has the molecular formula C171H101N9S3 and a molecular weight of 2377.95 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-4-phenyl-6-[2-[3-[2-[3-[4-[4-phenyl-6-[2-[4-[4-[3-[4-[4-phenyl-6-[2-[2-(2-phenylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]phenyl]naphthalen-1-yl]naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]phenyl]naphthalen-1-yl]phenanthren-9-yl]naphthalen-1-yl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzothiophen-4-yl-4-phenyl-6-[2-[3-[2-[3-[4-[4-phenyl-6-[2-[4-[4-[3-[4-[4-phenyl-6-[2-[2-(2-phenylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]phenyl]naphthalen-1-yl]naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]phenyl]naphthalen-1-yl]phenanthren-9-yl]naphthalen-1-yl]-1,3,5-triazine
• PubChem CID: 155481270
• Molecular Formula: C171H101N9S3
• Molecular Weight: 2377.95 g/mol
• Exact Mass: 2375.73
• IUPAC Name: 2-dibenzothiophen-4-yl-4-phenyl-6-[2-[3-[2-[3-[4-[4-phenyl-6-[2-[4-[4-[3-[4-[4-phenyl-6-[2-[2-(2-phenylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]phenyl]naphthalen-1-yl]naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]phenyl]naphthalen-1-yl]phenanthren-9-yl]naphthalen-1-yl]-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3c(-c4c(-c5c(-c6ccccc6)ccc6ccccc56)ccc5ccccc45)ccc4ccccc34)nc(-c3cc(-c4cccc(-c5ccc(-c6ccc(-c7ccc8ccccc8c7-c7nc(-c8ccccc8)nc(-c8ccc(-c9cccc(-c%10ccc%11ccccc%11c%10-c%10ccc%11cc(-c%12ccc%13ccccc%13c%12-c%12nc(-c%13ccccc%13)nc(-c%13cccc%14c%13sc%13ccccc%13%14)n%12)c%12ccccc%12c%11c%10)c9)c9c8sc8ccccc89)n7)c7ccccc67)cc5)c4)cc4c3sc3ccccc34)n2)cc1
• InChI: InChI=1S/C171H101N9S3/c1-5-38-103(39-6-1)128-86-80-105-41-14-20-57-123(105)154(128)142-90-84-106-42-15-21-58-124(106)155(142)143-91-85-109-45-18-24-61-127(109)159(143)171-177-165(113-50-11-4-12-51-113)174-168(180-171)149-101-120(100-148-137-67-30-33-72-151(137)182-161(148)149)115-53-35-52-114(96-115)102-74-76-110(77-75-102)121-92-94-135(132-63-26-25-62-131(121)132)138-88-82-107-43-16-22-59-125(107)157(138)169-175-164(112-48-9-3-10-49-112)173-167(179-169)145-95-93-130(156-141-68-31-34-73-152(141)183-162(145)156)117-55-36-54-116(97-117)129-87-81-104-40-13-19-56-122(104)153(129)119-79-78-118-98-147(134-65-28-27-64-133(134)146(118)99-119)139-89-83-108-44-17-23-60-126(108)158(139)170-176-163(111-46-7-2-8-47-111)172-166(178-170)144-70-37-69-140-136-66-29-32-71-150(136)181-160(140)144/h1-101H
• InChIKey: QESSJFAJGMUEIC-UHFFFAOYSA-N
• XLogP: 47.06
• TPSA: 116.01 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 20
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2377.95
LogP ≤ 5	47.06
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-phenyl-6-[2-[3-[2-[3-[4-[4-phenyl-6-[2-[4-[4-[3-[4-[4-phenyl-6-[2-[2-(2-phenylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]phenyl]naphthalen-1-yl]naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]phenyl]naphthalen-1-yl]phenanthren-9-yl]naphthalen-1-yl]-1,3,5-triazine?

The IUPAC name of 2-dibenzothiophen-4-yl-4-phenyl-6-[2-[3-[2-[3-[4-[4-phenyl-6-[2-[4-[4-[3-[4-[4-phenyl-6-[2-[2-(2-phenylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]phenyl]naphthalen-1-yl]naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]phenyl]naphthalen-1-yl]phenanthren-9-yl]naphthalen-1-yl]-1,3,5-triazine (CID 155481270) is 2-dibenzothiophen-4-yl-4-phenyl-6-[2-[3-[2-[3-[4-[4-phenyl-6-[2-[4-[4-[3-[4-[4-phenyl-6-[2-[2-(2-phenylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]phenyl]naphthalen-1-yl]naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]phenyl]naphthalen-1-yl]phenanthren-9-yl]naphthalen-1-yl]-1,3,5-triazine.

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

The canonical SMILES for 2-dibenzothiophen-4-yl-4-phenyl-6-[2-[3-[2-[3-[4-[4-phenyl-6-[2-[4-[4-[3-[4-[4-phenyl-6-[2-[2-(2-phenylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]phenyl]naphthalen-1-yl]naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]phenyl]naphthalen-1-yl]phenanthren-9-yl]naphthalen-1-yl]-1,3,5-triazine is c1ccc(-c2nc(-c3c(-c4c(-c5c(-c6ccccc6)ccc6ccccc56)ccc5ccccc45)ccc4ccccc34)nc(-c3cc(-c4cccc(-c5ccc(-c6ccc(-c7ccc8ccccc8c7-c7nc(-c8ccccc8)nc(-c8ccc(-c9cccc(-c%10ccc%11ccccc%11c%10-c%10ccc%11cc(-c%12ccc%13ccccc%13c%12-c%12nc(-c%13ccccc%13)nc(-c%13cccc%14c%13sc%13ccccc%13%14)n%12)c%12ccccc%12c%11c%10)c9)c9c8sc8ccccc89)n7)c7ccccc67)cc5)c4)cc4c3sc3ccccc34)n2)cc1.

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

The InChIKey is QESSJFAJGMUEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C171H101N9S3/c1-5-38-103(39-6-1)128-86-80-105-41-14-20-57-123(105)154(128)142-90-84-106-42-15-21-58-124(106)155(142)143-91-85-109-45-18-24-61-127(109)159(143)171-177-165(113-50-11-4-12-51-113)174-168(180-171)149-101-120(100-148-137-67-30-33-72-151(137)182-161(148)149)115-53-35-52-114(96-115)102-74-76-110(77-75-102)121-92-94-135(132-63-26-25-62-131(121)132)138-88-82-107-43-16-22-59-125(107)157(138)169-175-164(112-48-9-3-10-49-112)173-167(179-169)145-95-93-130(156-141-68-31-34-73-152(141)183-162(145)156)117-55-36-54-116(97-117)129-87-81-104-40-13-19-56-122(104)153(129)119-79-78-118-98-147(134-65-28-27-64-133(134)146(118)99-119)139-89-83-108-44-17-23-60-126(108)158(139)170-176-163(111-46-7-2-8-47-111)172-166(178-170)144-70-37-69-140-136-66-29-32-71-150(136)181-160(140)144/h1-101H.

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

2-dibenzothiophen-4-yl-4-phenyl-6-[2-[3-[2-[3-[4-[4-phenyl-6-[2-[4-[4-[3-[4-[4-phenyl-6-[2-[2-(2-phenylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]phenyl]naphthalen-1-yl]naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]phenyl]naphthalen-1-yl]phenanthren-9-yl]naphthalen-1-yl]-1,3,5-triazine has a molecular weight of 2377.95 g/mol, XLogP of 47.06, 20 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-phenyl-6-[2-[3-[2-[3-[4-[4-phenyl-6-[2-[4-[4-[3-[4-[4-phenyl-6-[2-[2-(2-phenylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]phenyl]naphthalen-1-yl]naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]phenyl]naphthalen-1-yl]phenanthren-9-yl]naphthalen-1-yl]-1,3,5-triazine is sourced from PubChem (CID 155481270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).