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

C200H120N16O3S — CID 159975344

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

4-[3'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]benzonitrile;4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-3'-yl]benzonitrile;4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]benzonitrile;4-[4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]benzonitrile (PubChem CID 159975344) has the molecular formula C200H120N16O3S and a molecular weight of 2827.34 g/mol. Its IUPAC name is 4-[3'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]benzonitrile;4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-3'-yl]benzonitrile;4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]benzonitrile;4-[4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]benzonitrile.

Molecular Properties

• Compound Name: 4-[3'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]benzonitrile;4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-3'-yl]benzonitrile;4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]benzonitrile;4-[4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]benzonitrile
• PubChem CID: 159975344
• Molecular Formula: C200H120N16O3S
• Molecular Weight: 2827.34 g/mol
• Exact Mass: 2824.95
• IUPAC Name: 4-[3'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]benzonitrile;4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-3'-yl]benzonitrile;4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]benzonitrile;4-[4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]benzonitrile
• SMILES: N#Cc1ccc(-c2cc3c(cc2-c2ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc2)Oc2ccccc2C32c3ccccc3-c3ccccc32)cc1.N#Cc1ccc(-c2cc3c(cc2-c2nc(-c4ccccc4)nc(-c4ccccc4)n2)C2(c4ccccc4O3)c3ccccc3-c3ccccc32)cc1.N#Cc1ccc(-c2cc3c(cc2-c2nc(-c4ccccc4)nc(-c4ccccc4)n2)C2(c4ccccc4S3)c3ccccc3-c3ccccc32)cc1.N#Cc1ccc(-c2ccc(-c3cc4c(cc3-c3nc(-c5ccccc5)nc(-c5ccccc5)n3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)cc2)cc1
• InChI: InChI=1S/2C53H32N4O.C47H28N4O.C47H28N4S/c54-33-34-23-25-35(26-24-34)42-31-47-49(58-48-22-12-11-21-46(48)53(47)44-19-9-7-17-40(44)41-18-8-10-20-45(41)53)32-43(42)36-27-29-39(30-28-36)52-56-50(37-13-3-1-4-14-37)55-51(57-52)38-15-5-2-6-16-38;54-33-34-23-25-35(26-24-34)36-27-29-37(30-28-36)42-32-49-47(31-43(42)52-56-50(38-13-3-1-4-14-38)55-51(57-52)39-15-5-2-6-16-39)53(46-21-11-12-22-48(46)58-49)44-19-9-7-17-40(44)41-18-8-10-20-45(41)53;2*48-29-30-23-25-31(26-24-30)36-28-43-41(27-37(36)46-50-44(32-13-3-1-4-14-32)49-45(51-46)33-15-5-2-6-16-33)47(40-21-11-12-22-42(40)52-43)38-19-9-7-17-34(38)35-18-8-10-20-39(35)47/h2*1-32H;2*1-28H
• InChIKey: OFBSZDNYWDIJRX-UHFFFAOYSA-N
• XLogP: 47.21
• TPSA: 277.53 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 18
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2827.34
LogP ≤ 5	47.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

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

The IUPAC name of 4-[3'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]benzonitrile;4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-3'-yl]benzonitrile;4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]benzonitrile;4-[4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]benzonitrile (CID 159975344) is 4-[3'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]benzonitrile;4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-3'-yl]benzonitrile;4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]benzonitrile;4-[4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]benzonitrile.

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

The canonical SMILES for 4-[3'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]benzonitrile;4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-3'-yl]benzonitrile;4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]benzonitrile;4-[4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]benzonitrile is N#Cc1ccc(-c2cc3c(cc2-c2ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc2)Oc2ccccc2C32c3ccccc3-c3ccccc32)cc1.N#Cc1ccc(-c2cc3c(cc2-c2nc(-c4ccccc4)nc(-c4ccccc4)n2)C2(c4ccccc4O3)c3ccccc3-c3ccccc32)cc1.N#Cc1ccc(-c2cc3c(cc2-c2nc(-c4ccccc4)nc(-c4ccccc4)n2)C2(c4ccccc4S3)c3ccccc3-c3ccccc32)cc1.N#Cc1ccc(-c2ccc(-c3cc4c(cc3-c3nc(-c5ccccc5)nc(-c5ccccc5)n3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)cc2)cc1.

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

The InChIKey is OFBSZDNYWDIJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C53H32N4O.C47H28N4O.C47H28N4S/c54-33-34-23-25-35(26-24-34)42-31-47-49(58-48-22-12-11-21-46(48)53(47)44-19-9-7-17-40(44)41-18-8-10-20-45(41)53)32-43(42)36-27-29-39(30-28-36)52-56-50(37-13-3-1-4-14-37)55-51(57-52)38-15-5-2-6-16-38;54-33-34-23-25-35(26-24-34)36-27-29-37(30-28-36)42-32-49-47(31-43(42)52-56-50(38-13-3-1-4-14-38)55-51(57-52)39-15-5-2-6-16-39)53(46-21-11-12-22-48(46)58-49)44-19-9-7-17-40(44)41-18-8-10-20-45(41)53;2*48-29-30-23-25-31(26-24-30)36-28-43-41(27-37(36)46-50-44(32-13-3-1-4-14-32)49-45(51-46)33-15-5-2-6-16-33)47(40-21-11-12-22-42(40)52-43)38-19-9-7-17-34(38)35-18-8-10-20-39(35)47/h2*1-32H;2*1-28H.

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

4-[3'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]benzonitrile;4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-3'-yl]benzonitrile;4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]benzonitrile;4-[4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]benzonitrile has a molecular weight of 2827.34 g/mol, XLogP of 47.21, 18 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]benzonitrile;4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-3'-yl]benzonitrile;4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]benzonitrile;4-[4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]benzonitrile is sourced from PubChem (CID 159975344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).