4-[4-[7'-[4-[4-[4-[4-[3-[7'-(4-cyanophenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]benzonitrile

C106H62N8O2 — CID 146362742

About 4-[4-[7'-[4-[4-[4-[4-[3-[7'-(4-cyanophenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]benzonitrile

4-[4-[7'-[4-[4-[4-[4-[3-[7'-(4-cyanophenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]benzonitrile (PubChem CID 146362742) has the molecular formula C106H62N8O2 and a molecular weight of 1479.72 g/mol. Its IUPAC name is 4-[4-[7'-[4-[4-[4-[4-[3-[7'-(4-cyanophenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]benzonitrile.

Molecular Properties

• Compound Name: 4-[4-[7'-[4-[4-[4-[4-[3-[7'-(4-cyanophenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]benzonitrile
• PubChem CID: 146362742
• Molecular Formula: C106H62N8O2
• Molecular Weight: 1479.72 g/mol
• Exact Mass: 1478.50
• IUPAC Name: 4-[4-[7'-[4-[4-[4-[4-[3-[7'-(4-cyanophenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]benzonitrile
• SMILES: N#Cc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5cc(-c6nc(-c7ccccc7)nc(-c7ccc(-c8ccc(-c9nc(-c%10ccccc%10)nc(-c%10cccc(-c%11ccc%12c(c%11)C%11(c%13cc(-c%14ccc(C#N)cc%14)ccc%13O%12)c%12ccccc%12-c%12ccccc%12%11)c%10)n9)cc8)cc7)n6)ccc5O4)c4ccccc4-c4ccccc43)cc2)cc1
• InChI: InChI=1S/C106H62N8O2/c107-63-65-30-34-67(35-31-65)68-38-40-72(41-39-68)79-51-55-96-92(60-79)106(89-28-13-9-24-85(89)86-25-10-14-29-90(86)106)94-62-82(53-57-98(94)116-96)104-112-100(74-18-5-2-6-19-74)110-102(114-104)76-48-44-70(45-49-76)69-42-46-75(47-43-69)101-109-99(73-16-3-1-4-17-73)111-103(113-101)81-21-15-20-77(58-81)80-52-56-97-93(61-80)105(87-26-11-7-22-83(87)84-23-8-12-27-88(84)105)91-59-78(50-54-95(91)115-97)71-36-32-66(64-108)33-37-71/h1-62H
• InChIKey: PWLLOQVXGGPAPZ-UHFFFAOYSA-N
• XLogP: 25.07
• TPSA: 143.38 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1479.72
LogP ≤ 5	25.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[4-[7'-[4-[4-[4-[4-[3-[7'-(4-cyanophenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]benzonitrile?

The IUPAC name of 4-[4-[7'-[4-[4-[4-[4-[3-[7'-(4-cyanophenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]benzonitrile (CID 146362742) is 4-[4-[7'-[4-[4-[4-[4-[3-[7'-(4-cyanophenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]benzonitrile.

What is the SMILES notation for 4-[4-[7'-[4-[4-[4-[4-[3-[7'-(4-cyanophenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]benzonitrile?

The canonical SMILES for 4-[4-[7'-[4-[4-[4-[4-[3-[7'-(4-cyanophenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]benzonitrile is N#Cc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5cc(-c6nc(-c7ccccc7)nc(-c7ccc(-c8ccc(-c9nc(-c%10ccccc%10)nc(-c%10cccc(-c%11ccc%12c(c%11)C%11(c%13cc(-c%14ccc(C#N)cc%14)ccc%13O%12)c%12ccccc%12-c%12ccccc%12%11)c%10)n9)cc8)cc7)n6)ccc5O4)c4ccccc4-c4ccccc43)cc2)cc1.

What is the InChIKey of 4-[4-[7'-[4-[4-[4-[4-[3-[7'-(4-cyanophenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]benzonitrile?

The InChIKey is PWLLOQVXGGPAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H62N8O2/c107-63-65-30-34-67(35-31-65)68-38-40-72(41-39-68)79-51-55-96-92(60-79)106(89-28-13-9-24-85(89)86-25-10-14-29-90(86)106)94-62-82(53-57-98(94)116-96)104-112-100(74-18-5-2-6-19-74)110-102(114-104)76-48-44-70(45-49-76)69-42-46-75(47-43-69)101-109-99(73-16-3-1-4-17-73)111-103(113-101)81-21-15-20-77(58-81)80-52-56-97-93(61-80)105(87-26-11-7-22-83(87)84-23-8-12-27-88(84)105)91-59-78(50-54-95(91)115-97)71-36-32-66(64-108)33-37-71/h1-62H.

What are the key properties of 4-[4-[7'-[4-[4-[4-[4-[3-[7'-(4-cyanophenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]benzonitrile?

4-[4-[7'-[4-[4-[4-[4-[3-[7'-(4-cyanophenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]benzonitrile has a molecular weight of 1479.72 g/mol, XLogP of 25.07, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[7'-[4-[4-[4-[4-[3-[7'-(4-cyanophenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]benzonitrile is sourced from PubChem (CID 146362742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).