2-(3,5-diphenylphenyl)-4-[3-[3-[3-[3-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]-5-phenylphenyl]phenyl]phenyl]-5-phenylphenyl]phenyl]-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine

C140H88N6 — CID 167284789

About 2-(3,5-diphenylphenyl)-4-[3-[3-[3-[3-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]-5-phenylphenyl]phenyl]phenyl]-5-phenylphenyl]phenyl]-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine

2-(3,5-diphenylphenyl)-4-[3-[3-[3-[3-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]-5-phenylphenyl]phenyl]phenyl]-5-phenylphenyl]phenyl]-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine (PubChem CID 167284789) has the molecular formula C140H88N6 and a molecular weight of 1854.29 g/mol. Its IUPAC name is 2-(3,5-diphenylphenyl)-4-[3-[3-[3-[3-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]-5-phenylphenyl]phenyl]phenyl]-5-phenylphenyl]phenyl]-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(3,5-diphenylphenyl)-4-[3-[3-[3-[3-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]-5-phenylphenyl]phenyl]phenyl]-5-phenylphenyl]phenyl]-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
• PubChem CID: 167284789
• Molecular Formula: C140H88N6
• Molecular Weight: 1854.29 g/mol
• Exact Mass: 1852.71
• IUPAC Name: 2-(3,5-diphenylphenyl)-4-[3-[3-[3-[3-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]-5-phenylphenyl]phenyl]phenyl]-5-phenylphenyl]phenyl]-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
• SMILES: c1ccc(-c2cc(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6nc(-c7cccc(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)c7)nc(-c7ccc8c(c7)C7(c9ccccc9-c9ccccc97)c7ccccc7-8)n6)c5)c4)c3)cc(-c3cccc(-c4nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)nc(-c5ccc6c(c5)-c5ccccc5C65c6ccccc6-c6ccccc65)n4)c3)c2)cc1
• InChI: InChI=1S/C140H88N6/c1-7-35-89(36-8-1)105-75-106(90-37-9-2-10-38-90)78-111(77-105)99-51-33-54-102(73-99)134-142-136(104-67-69-123-121-59-23-29-65-129(121)140(132(123)88-104)127-63-27-21-57-119(127)120-58-22-28-64-128(120)140)146-138(144-134)116-85-110(94-45-17-6-18-46-94)81-114(86-116)98-50-32-48-96(72-98)95-47-31-49-97(71-95)112-79-107(91-39-11-3-12-40-91)80-113(82-112)100-52-34-53-101(74-100)133-141-135(145-137(143-133)115-83-108(92-41-13-4-14-42-92)76-109(84-115)93-43-15-5-16-44-93)103-68-70-131-124(87-103)122-60-24-30-66-130(122)139(131)125-61-25-19-55-117(125)118-56-20-26-62-126(118)139/h1-88H
• InChIKey: XMNZGUNZYHTPAC-UHFFFAOYSA-N
• XLogP: 35.08
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 17
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1854.29
LogP ≤ 5	35.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-(3,5-diphenylphenyl)-4-[3-[3-[3-[3-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]-5-phenylphenyl]phenyl]phenyl]-5-phenylphenyl]phenyl]-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine (CID 167284789) is 2-(3,5-diphenylphenyl)-4-[3-[3-[3-[3-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]-5-phenylphenyl]phenyl]phenyl]-5-phenylphenyl]phenyl]-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine.

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

The canonical SMILES for 2-(3,5-diphenylphenyl)-4-[3-[3-[3-[3-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]-5-phenylphenyl]phenyl]phenyl]-5-phenylphenyl]phenyl]-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine is c1ccc(-c2cc(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6nc(-c7cccc(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)c7)nc(-c7ccc8c(c7)C7(c9ccccc9-c9ccccc97)c7ccccc7-8)n6)c5)c4)c3)cc(-c3cccc(-c4nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)nc(-c5ccc6c(c5)-c5ccccc5C65c6ccccc6-c6ccccc65)n4)c3)c2)cc1.

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

The InChIKey is XMNZGUNZYHTPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C140H88N6/c1-7-35-89(36-8-1)105-75-106(90-37-9-2-10-38-90)78-111(77-105)99-51-33-54-102(73-99)134-142-136(104-67-69-123-121-59-23-29-65-129(121)140(132(123)88-104)127-63-27-21-57-119(127)120-58-22-28-64-128(120)140)146-138(144-134)116-85-110(94-45-17-6-18-46-94)81-114(86-116)98-50-32-48-96(72-98)95-47-31-49-97(71-95)112-79-107(91-39-11-3-12-40-91)80-113(82-112)100-52-34-53-101(74-100)133-141-135(145-137(143-133)115-83-108(92-41-13-4-14-42-92)76-109(84-115)93-43-15-5-16-44-93)103-68-70-131-124(87-103)122-60-24-30-66-130(122)139(131)125-61-25-19-55-117(125)118-56-20-26-62-126(118)139/h1-88H.

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

2-(3,5-diphenylphenyl)-4-[3-[3-[3-[3-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]-5-phenylphenyl]phenyl]phenyl]-5-phenylphenyl]phenyl]-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine has a molecular weight of 1854.29 g/mol, XLogP of 35.08, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-diphenylphenyl)-4-[3-[3-[3-[3-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]-5-phenylphenyl]phenyl]phenyl]-5-phenylphenyl]phenyl]-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine is sourced from PubChem (CID 167284789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).