6-[3-[4-[3-[8-cyano-4-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3-carbonitrile

C104H60N8O2 — CID 146362893

About 6-[3-[4-[3-[8-cyano-4-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3-carbonitrile

6-[3-[4-[3-[8-cyano-4-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3-carbonitrile (PubChem CID 146362893) has the molecular formula C104H60N8O2 and a molecular weight of 1453.68 g/mol. Its IUPAC name is 6-[3-[4-[3-[8-cyano-4-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[3-[4-[3-[8-cyano-4-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3-carbonitrile
• PubChem CID: 146362893
• Molecular Formula: C104H60N8O2
• Molecular Weight: 1453.68 g/mol
• Exact Mass: 1452.48
• IUPAC Name: 6-[3-[4-[3-[8-cyano-4-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3-carbonitrile
• SMILES: N#Cc1ccc2c(c1)-c1cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccc(-c7ccc8c(c7)-c7cc(-c9cccc(-c%10nc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)c9)ccc7C87c8ccccc8Oc8ccccc87)c7cccc(C#N)c67)c5)n4)c3)ccc1C21c2ccccc2Oc2ccccc21
• InChI: InChI=1S/C104H60N8O2/c105-61-63-44-50-84-80(54-63)81-58-69(45-51-85(81)103(84)88-36-10-14-40-92(88)113-93-41-15-11-37-89(93)103)67-28-19-32-74(56-67)101-110-99(66-26-8-3-9-27-66)111-102(112-101)75-33-20-30-71(57-75)78-49-48-77(79-35-21-34-76(62-106)96(78)79)72-47-53-87-83(60-72)82-59-70(46-52-86(82)104(87)90-38-12-16-42-94(90)114-95-43-17-13-39-91(95)104)68-29-18-31-73(55-68)100-108-97(64-22-4-1-5-23-64)107-98(109-100)65-24-6-2-7-25-65/h1-60H
• InChIKey: WZTPYPUMDNHJAT-UHFFFAOYSA-N
• XLogP: 24.56
• TPSA: 143.38 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1453.68
LogP ≤ 5	24.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-[3-[8-cyano-4-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3-carbonitrile?

The IUPAC name of 6-[3-[4-[3-[8-cyano-4-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3-carbonitrile (CID 146362893) is 6-[3-[4-[3-[8-cyano-4-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3-carbonitrile.

What is the SMILES notation for 6-[3-[4-[3-[8-cyano-4-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3-carbonitrile?

The canonical SMILES for 6-[3-[4-[3-[8-cyano-4-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3-carbonitrile is N#Cc1ccc2c(c1)-c1cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccc(-c7ccc8c(c7)-c7cc(-c9cccc(-c%10nc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)c9)ccc7C87c8ccccc8Oc8ccccc87)c7cccc(C#N)c67)c5)n4)c3)ccc1C21c2ccccc2Oc2ccccc21.

What is the InChIKey of 6-[3-[4-[3-[8-cyano-4-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3-carbonitrile?

The InChIKey is WZTPYPUMDNHJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H60N8O2/c105-61-63-44-50-84-80(54-63)81-58-69(45-51-85(81)103(84)88-36-10-14-40-92(88)113-93-41-15-11-37-89(93)103)67-28-19-32-74(56-67)101-110-99(66-26-8-3-9-27-66)111-102(112-101)75-33-20-30-71(57-75)78-49-48-77(79-35-21-34-76(62-106)96(78)79)72-47-53-87-83(60-72)82-59-70(46-52-86(82)104(87)90-38-12-16-42-94(90)114-95-43-17-13-39-91(95)104)68-29-18-31-73(55-68)100-108-97(64-22-4-1-5-23-64)107-98(109-100)65-24-6-2-7-25-65/h1-60H.

What are the key properties of 6-[3-[4-[3-[8-cyano-4-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3-carbonitrile?

6-[3-[4-[3-[8-cyano-4-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3-carbonitrile has a molecular weight of 1453.68 g/mol, XLogP of 24.56, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[4-[3-[8-cyano-4-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3-carbonitrile is sourced from PubChem (CID 146362893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).