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

C147H88N12O3 — CID 159819243

IUPAC2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-carbonitrile;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-carbonitrile;4-[2'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)C2(c4ccccc4Oc4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cc42)c2ccccc2-3)cc1.N#Cc1ccc2c(c1)C1(c3ccccc3O2)c2ccccc2-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc21.N#Cc1cccc2c1Oc1ccccc1C21c2ccccc2-c2c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cccc21
InChIInChI=1S/C53H32N4O.2C47H28N4O/c54-33-34-19-21-35(22-20-34)40-27-29-43-42-15-7-8-16-44(42)53(46(43)31-40)45-17-9-10-18-48(45)58-49-30-28-41(32-47(49)53)36-23-25-39(26-24-36)52-56-50(37-11-3-1-4-12-37)55-51(57-52)38-13-5-2-6-14-38;48-29-34-17-11-23-40-43(34)52-41-24-10-9-21-38(41)47(40)37-20-8-7-18-36(37)42-35(19-12-22-39(42)47)30-25-27-33(28-26-30)46-50-44(31-13-3-1-4-14-31)49-45(51-46)32-15-5-2-6-16-32;48-29-30-19-26-43-41(27-30)47(39-17-9-10-18-42(39)52-43)38-16-8-7-15-36(38)37-25-24-35(28-40(37)47)31-20-22-34(23-21-31)46-50-44(32-11-3-1-4-12-32)49-45(51-46)33-13-5-2-6-14-33/h1-32H;2*1-28H
InChIKeyNMAAWLNNIYKHDG-UHFFFAOYSA-N
MW2070.40 g/mol
LogP34.31
Rot. Bonds13

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

2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-carbonitrile;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-carbonitrile;4-[2'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile (PubChem CID 159819243) has the molecular formula C147H88N12O3 and a molecular weight of 2070.40 g/mol. Its IUPAC name is 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-carbonitrile;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-carbonitrile;4-[2'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile.

Molecular Properties

Compound Name2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-carbonitrile;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-carbonitrile;4-[2'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile
PubChem CID159819243
Molecular FormulaC147H88N12O3
Molecular Weight2070.40 g/mol
Exact Mass2068.71
IUPAC Name2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-carbonitrile;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-carbonitrile;4-[2'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)C2(c4ccccc4Oc4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cc42)c2ccccc2-3)cc1.N#Cc1ccc2c(c1)C1(c3ccccc3O2)c2ccccc2-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc21.N#Cc1cccc2c1Oc1ccccc1C21c2ccccc2-c2c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cccc21
InChIInChI=1S/C53H32N4O.2C47H28N4O/c54-33-34-19-21-35(22-20-34)40-27-29-43-42-15-7-8-16-44(42)53(46(43)31-40)45-17-9-10-18-48(45)58-49-30-28-41(32-47(49)53)36-23-25-39(26-24-36)52-56-50(37-11-3-1-4-12-37)55-51(57-52)38-13-5-2-6-14-38;48-29-34-17-11-23-40-43(34)52-41-24-10-9-21-38(41)47(40)37-20-8-7-18-36(37)42-35(19-12-22-39(42)47)30-25-27-33(28-26-30)46-50-44(31-13-3-1-4-14-31)49-45(51-46)32-15-5-2-6-16-32;48-29-30-19-26-43-41(27-30)47(39-17-9-10-18-42(39)52-43)38-16-8-7-15-36(38)37-25-24-35(28-40(37)47)31-20-22-34(23-21-31)46-50-44(32-11-3-1-4-12-32)49-45(51-46)33-13-5-2-6-14-33/h1-32H;2*1-28H
InChIKeyNMAAWLNNIYKHDG-UHFFFAOYSA-N
XLogP34.31
TPSA215.07 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002070.40
LogP ≤ 534.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

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

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Related Compounds

4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-carbonitrile;4-[4-[4-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]naphthalen-1-yl]benzonitrile;4-[4-[4-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile
CID 157175099
4-[4'-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]benzonitrile;4-[4'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]benzonitrile
CID 159371573
4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile;4-[4-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile
CID 160882389
4-[2'-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile
CID 146913231
2,4-diphenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine;5'-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-carbonitrile;5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-carbonitrile;4-[5'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]naphthalene-1-carbonitrile;4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]benzonitrile;4-[6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]benzonitrile
CID 160699060
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
4-[6-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4-yl]benzonitrile
CID 139476262
3-[4-[4-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile;4-[4-[4-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]naphthalen-1-yl]benzonitrile;5-methyl-2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidine;5-methyl-2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)pyrimidine
CID 159092205
4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazin-2-yl)benzonitrile
CID 155767812
3-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 158006206
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4-[3-[3-[4-[(9R)-4'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 166738180
2-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 153297864

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-carbonitrile;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-carbonitrile;4-[2'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile?
The IUPAC name of 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-carbonitrile;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-carbonitrile;4-[2'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile (CID 159819243) is 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-carbonitrile;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-carbonitrile;4-[2'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile.
What is the SMILES notation for 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-carbonitrile;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-carbonitrile;4-[2'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile?
The canonical SMILES for 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-carbonitrile;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-carbonitrile;4-[2'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile is N#Cc1ccc(-c2ccc3c(c2)C2(c4ccccc4Oc4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cc42)c2ccccc2-3)cc1.N#Cc1ccc2c(c1)C1(c3ccccc3O2)c2ccccc2-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc21.N#Cc1cccc2c1Oc1ccccc1C21c2ccccc2-c2c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cccc21.
What is the InChIKey of 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-carbonitrile;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-carbonitrile;4-[2'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile?
The InChIKey is NMAAWLNNIYKHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N4O.2C47H28N4O/c54-33-34-19-21-35(22-20-34)40-27-29-43-42-15-7-8-16-44(42)53(46(43)31-40)45-17-9-10-18-48(45)58-49-30-28-41(32-47(49)53)36-23-25-39(26-24-36)52-56-50(37-11-3-1-4-12-37)55-51(57-52)38-13-5-2-6-14-38;48-29-34-17-11-23-40-43(34)52-41-24-10-9-21-38(41)47(40)37-20-8-7-18-36(37)42-35(19-12-22-39(42)47)30-25-27-33(28-26-30)46-50-44(31-13-3-1-4-14-31)49-45(51-46)32-15-5-2-6-16-32;48-29-30-19-26-43-41(27-30)47(39-17-9-10-18-42(39)52-43)38-16-8-7-15-36(38)37-25-24-35(28-40(37)47)31-20-22-34(23-21-31)46-50-44(32-11-3-1-4-12-32)49-45(51-46)33-13-5-2-6-14-33/h1-32H;2*1-28H.
What are the key properties of 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-carbonitrile;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-carbonitrile;4-[2'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile?
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-carbonitrile;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-carbonitrile;4-[2'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile has a molecular weight of 2070.40 g/mol, XLogP of 34.31, 13 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-carbonitrile;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-carbonitrile;4-[2'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile is sourced from PubChem (CID 159819243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).