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

C106H62N8O2 — CID 146362550

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

4-[5'-[4-[4-[3-[4-[4-[4-[5'-(4-cyanophenyl)spiro[fluorene-9,9'-xanthene]-4'-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile (PubChem CID 146362550) has the molecular formula C106H62N8O2 and a molecular weight of 1479.72 g/mol. Its IUPAC name is 4-[5'-[4-[4-[3-[4-[4-[4-[5'-(4-cyanophenyl)spiro[fluorene-9,9'-xanthene]-4'-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile.

Molecular Properties

• Compound Name: 4-[5'-[4-[4-[3-[4-[4-[4-[5'-(4-cyanophenyl)spiro[fluorene-9,9'-xanthene]-4'-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile
• PubChem CID: 146362550
• Molecular Formula: C106H62N8O2
• Molecular Weight: 1479.72 g/mol
• Exact Mass: 1478.50
• IUPAC Name: 4-[5'-[4-[4-[3-[4-[4-[4-[5'-(4-cyanophenyl)spiro[fluorene-9,9'-xanthene]-4'-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile
• SMILES: N#Cc1ccc(-c2cccc3c2Oc2c(-c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccc(-c8ccc(-c9nc(-c%10ccccc%10)nc(-c%10cccc%11c%10Oc%10c(-c%12ccc(C#N)cc%12)cccc%10C%11%10c%11ccccc%11-c%11ccccc%11%10)n9)cc8)cc7)c6)n5)cc4)cccc2C32c3ccccc3-c3ccccc32)cc1
• InChI: InChI=1S/C106H62N8O2/c107-63-65-42-46-70(47-43-65)79-30-16-38-91-95(79)115-96-81(32-18-39-92(96)105(91)87-34-11-7-26-82(87)83-27-8-12-35-88(83)105)72-56-60-76(61-57-72)101-109-99(73-20-3-1-4-21-73)111-103(112-101)78-25-15-24-77(62-78)69-52-50-67(51-53-69)68-54-58-75(59-55-68)102-110-100(74-22-5-2-6-23-74)113-104(114-102)86-33-19-41-94-98(86)116-97-80(71-48-44-66(64-108)45-49-71)31-17-40-93(97)106(94)89-36-13-9-28-84(89)85-29-10-14-37-90(85)106/h1-62H
• InChIKey: NDNWOOAKSYWPOU-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-[5'-[4-[4-[3-[4-[4-[4-[5'-(4-cyanophenyl)spiro[fluorene-9,9'-xanthene]-4'-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile?

The IUPAC name of 4-[5'-[4-[4-[3-[4-[4-[4-[5'-(4-cyanophenyl)spiro[fluorene-9,9'-xanthene]-4'-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile (CID 146362550) is 4-[5'-[4-[4-[3-[4-[4-[4-[5'-(4-cyanophenyl)spiro[fluorene-9,9'-xanthene]-4'-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile.

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

The canonical SMILES for 4-[5'-[4-[4-[3-[4-[4-[4-[5'-(4-cyanophenyl)spiro[fluorene-9,9'-xanthene]-4'-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile is N#Cc1ccc(-c2cccc3c2Oc2c(-c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccc(-c8ccc(-c9nc(-c%10ccccc%10)nc(-c%10cccc%11c%10Oc%10c(-c%12ccc(C#N)cc%12)cccc%10C%11%10c%11ccccc%11-c%11ccccc%11%10)n9)cc8)cc7)c6)n5)cc4)cccc2C32c3ccccc3-c3ccccc32)cc1.

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

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

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

4-[5'-[4-[4-[3-[4-[4-[4-[5'-(4-cyanophenyl)spiro[fluorene-9,9'-xanthene]-4'-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]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-[5'-[4-[4-[3-[4-[4-[4-[5'-(4-cyanophenyl)spiro[fluorene-9,9'-xanthene]-4'-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile is sourced from PubChem (CID 146362550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).