2-[3-[3-[9-[3-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]xanthen-9-yl]phenyl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine

C139H92N6O — CID 88886307

About 2-[3-[3-[9-[3-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]xanthen-9-yl]phenyl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine

2-[3-[3-[9-[3-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]xanthen-9-yl]phenyl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 88886307) has the molecular formula C139H92N6O and a molecular weight of 1862.31 g/mol. Its IUPAC name is 2-[3-[3-[9-[3-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]xanthen-9-yl]phenyl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[3-[3-[9-[3-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]xanthen-9-yl]phenyl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine
• PubChem CID: 88886307
• Molecular Formula: C139H92N6O
• Molecular Weight: 1862.31 g/mol
• Exact Mass: 1860.73
• IUPAC Name: 2-[3-[3-[9-[3-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]xanthen-9-yl]phenyl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)nc(-c5cccc(-c6cccc(C7(c8cccc(-c9cccc(-c%10nc(-c%11cccc(-c%12cc(-c%13ccccc%13)cc(-c%13ccccc%13)c%12)c%11)nc(-c%11cccc(-c%12cc(-c%13ccccc%13)cc(-c%13ccccc%13)c%12)c%11)n%10)c9)c8)c8ccccc8Oc8ccccc87)c6)c5)n4)c3)c2)cc1
• InChI: InChI=1S/C139H92N6O/c1-9-37-93(38-10-1)115-79-116(94-39-11-2-12-40-94)84-123(83-115)103-55-31-63-111(75-103)135-140-133(141-136(144-135)112-64-32-56-104(76-112)124-85-117(95-41-13-3-14-42-95)80-118(86-124)96-43-15-4-16-44-96)109-61-29-53-101(73-109)107-59-35-67-127(91-107)139(129-69-25-27-71-131(129)146-132-72-28-26-70-130(132)139)128-68-36-60-108(92-128)102-54-30-62-110(74-102)134-142-137(113-65-33-57-105(77-113)125-87-119(97-45-17-5-18-46-97)81-120(88-125)98-47-19-6-20-48-98)145-138(143-134)114-66-34-58-106(78-114)126-89-121(99-49-21-7-22-50-99)82-122(90-126)100-51-23-8-24-52-100/h1-92H
• InChIKey: OCNSHMOPGJWFGW-UHFFFAOYSA-N
• XLogP: 35.88
• TPSA: 86.57 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 22
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1862.31
LogP ≤ 5	35.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[9-[3-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]xanthen-9-yl]phenyl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine?

The IUPAC name of 2-[3-[3-[9-[3-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]xanthen-9-yl]phenyl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine (CID 88886307) is 2-[3-[3-[9-[3-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]xanthen-9-yl]phenyl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine.

What is the SMILES notation for 2-[3-[3-[9-[3-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]xanthen-9-yl]phenyl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine?

The canonical SMILES for 2-[3-[3-[9-[3-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]xanthen-9-yl]phenyl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine is c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)nc(-c5cccc(-c6cccc(C7(c8cccc(-c9cccc(-c%10nc(-c%11cccc(-c%12cc(-c%13ccccc%13)cc(-c%13ccccc%13)c%12)c%11)nc(-c%11cccc(-c%12cc(-c%13ccccc%13)cc(-c%13ccccc%13)c%12)c%11)n%10)c9)c8)c8ccccc8Oc8ccccc87)c6)c5)n4)c3)c2)cc1.

What is the InChIKey of 2-[3-[3-[9-[3-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]xanthen-9-yl]phenyl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine?

The InChIKey is OCNSHMOPGJWFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C139H92N6O/c1-9-37-93(38-10-1)115-79-116(94-39-11-2-12-40-94)84-123(83-115)103-55-31-63-111(75-103)135-140-133(141-136(144-135)112-64-32-56-104(76-112)124-85-117(95-41-13-3-14-42-95)80-118(86-124)96-43-15-4-16-44-96)109-61-29-53-101(73-109)107-59-35-67-127(91-107)139(129-69-25-27-71-131(129)146-132-72-28-26-70-130(132)139)128-68-36-60-108(92-128)102-54-30-62-110(74-102)134-142-137(113-65-33-57-105(77-113)125-87-119(97-45-17-5-18-46-97)81-120(88-125)98-47-19-6-20-48-98)145-138(143-134)114-66-34-58-106(78-114)126-89-121(99-49-21-7-22-50-99)82-122(90-126)100-51-23-8-24-52-100/h1-92H.

What are the key properties of 2-[3-[3-[9-[3-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]xanthen-9-yl]phenyl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine?

2-[3-[3-[9-[3-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]xanthen-9-yl]phenyl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 1862.31 g/mol, XLogP of 35.88, 22 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[9-[3-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]xanthen-9-yl]phenyl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 88886307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).