2-[4-[4-[4-[6-naphthalen-1-yl-4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]-4-phenyl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-yl-1,3,5-triazine

C102H60N4S2 — CID 134533556

About 2-[4-[4-[4-[6-naphthalen-1-yl-4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]-4-phenyl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-yl-1,3,5-triazine

2-[4-[4-[4-[6-naphthalen-1-yl-4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]-4-phenyl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-yl-1,3,5-triazine (PubChem CID 134533556) has the molecular formula C102H60N4S2 and a molecular weight of 1405.76 g/mol. Its IUPAC name is 2-[4-[4-[4-[6-naphthalen-1-yl-4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]-4-phenyl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-yl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[4-[4-[4-[6-naphthalen-1-yl-4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]-4-phenyl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-yl-1,3,5-triazine
• PubChem CID: 134533556
• Molecular Formula: C102H60N4S2
• Molecular Weight: 1405.76 g/mol
• Exact Mass: 1404.43
• IUPAC Name: 2-[4-[4-[4-[6-naphthalen-1-yl-4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]-4-phenyl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-yl-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc(-c6cc(-c7ccc(-c8ccc9c(c8)C8(c%10ccccc%10-c%10ccccc%108)c8c-9sc9ccccc89)cc7)cc(-c7cccc8ccccc78)n6)cc5)cc4)cc3)nc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4sc5ccccc5c43)n2)cc1
• InChI: InChI=1S/C102H60N4S2/c1-2-20-69(21-3-1)98-104-99(106-100(105-98)72-54-55-78-77-26-8-14-33-86(77)102(88(78)58-72)87-34-15-9-27-80(87)96-94(102)82-28-10-16-35-92(82)107-96)70-51-47-64(48-52-70)62-39-37-61(38-40-62)63-45-49-68(50-46-63)90-59-73(60-91(103-90)79-30-18-22-67-19-4-5-23-74(67)79)66-43-41-65(42-44-66)71-53-56-81-89(57-71)101(95-83-29-11-17-36-93(83)108-97(81)95)84-31-12-6-24-75(84)76-25-7-13-32-85(76)101/h1-60H
• InChIKey: HXSYDTODSYZRRP-UHFFFAOYSA-N
• XLogP: 26.54
• TPSA: 51.56 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1405.76
LogP ≤ 5	26.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4-[6-naphthalen-1-yl-4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]-4-phenyl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-yl-1,3,5-triazine?

The IUPAC name of 2-[4-[4-[4-[6-naphthalen-1-yl-4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]-4-phenyl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-yl-1,3,5-triazine (CID 134533556) is 2-[4-[4-[4-[6-naphthalen-1-yl-4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]-4-phenyl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-yl-1,3,5-triazine.

What is the SMILES notation for 2-[4-[4-[4-[6-naphthalen-1-yl-4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]-4-phenyl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-yl-1,3,5-triazine?

The canonical SMILES for 2-[4-[4-[4-[6-naphthalen-1-yl-4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]-4-phenyl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-yl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc(-c6cc(-c7ccc(-c8ccc9c(c8)C8(c%10ccccc%10-c%10ccccc%108)c8c-9sc9ccccc89)cc7)cc(-c7cccc8ccccc78)n6)cc5)cc4)cc3)nc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4sc5ccccc5c43)n2)cc1.

What is the InChIKey of 2-[4-[4-[4-[6-naphthalen-1-yl-4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]-4-phenyl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-yl-1,3,5-triazine?

The InChIKey is HXSYDTODSYZRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H60N4S2/c1-2-20-69(21-3-1)98-104-99(106-100(105-98)72-54-55-78-77-26-8-14-33-86(77)102(88(78)58-72)87-34-15-9-27-80(87)96-94(102)82-28-10-16-35-92(82)107-96)70-51-47-64(48-52-70)62-39-37-61(38-40-62)63-45-49-68(50-46-63)90-59-73(60-91(103-90)79-30-18-22-67-19-4-5-23-74(67)79)66-43-41-65(42-44-66)71-53-56-81-89(57-71)101(95-83-29-11-17-36-93(83)108-97(81)95)84-31-12-6-24-75(84)76-25-7-13-32-85(76)101/h1-60H.

What are the key properties of 2-[4-[4-[4-[6-naphthalen-1-yl-4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]-4-phenyl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-yl-1,3,5-triazine?

2-[4-[4-[4-[6-naphthalen-1-yl-4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]-4-phenyl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-yl-1,3,5-triazine has a molecular weight of 1405.76 g/mol, XLogP of 26.54, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-[4-[6-naphthalen-1-yl-4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]-4-phenyl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-yl-1,3,5-triazine is sourced from PubChem (CID 134533556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).