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

C261H158N18OS4 — CID 158157997

IUPAC4-[2'-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]benzonitrile;4-[4-[2'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]benzonitrile;4-[2'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]benzonitrile;4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2-yl]benzonitrile;4-[4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2-yl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)cc53)c3ccccc3-4)cc2)cc1.N#Cc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5ccccc5Sc5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc53)c3ccccc3-4)cc2)cc1.N#Cc1ccc(-c2ccc3c(c2)C2(c4ccccc4Sc4ccc(-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cc42)c2ccccc2-3)cc1.N#Cc1ccc(-c2ccc3c(c2)C2(c4ccccc4Sc4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cc42)c2ccccc2-3)cc1.N#Cc1ccc(-c2ccc3c(c2)C2(c4ccccc4Sc4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc42)c2ccccc2-3)cc1
InChIInChI=1S/C54H33N3O.C54H33N3S.2C53H32N4S.C47H28N4S/c55-34-35-19-21-36(22-20-35)37-23-25-38(26-24-37)41-27-29-44-43-15-7-8-16-45(43)54(47(44)31-41)46-17-9-10-18-51(46)58-52-30-28-42(32-48(52)54)50-33-49(39-11-3-1-4-12-39)56-53(57-50)40-13-5-2-6-14-40;55-34-35-19-21-36(22-20-35)41-27-29-44-43-15-7-8-16-45(43)54(47(44)31-41)46-17-9-10-18-51(46)58-52-30-28-42(32-48(52)54)37-23-25-39(26-24-37)50-33-49(38-11-3-1-4-12-38)56-53(57-50)40-13-5-2-6-14-40;54-33-34-19-21-35(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;54-33-34-19-21-35(22-20-34)36-23-25-37(26-24-36)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)52-56-50(38-11-3-1-4-12-38)55-51(57-52)39-13-5-2-6-14-39;48-29-30-19-21-31(22-20-30)34-23-25-37-36-15-7-8-16-38(36)47(40(37)27-34)39-17-9-10-18-42(39)52-43-26-24-35(28-41(43)47)46-50-44(32-11-3-1-4-12-32)49-45(51-46)33-13-5-2-6-14-33/h2*1-33H;2*1-32H;1-28H
InChIKeyFVXUAVZGZBZHEQ-UHFFFAOYSA-N
MW3690.53 g/mol
LogP63.71
Rot. Bonds24

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

4-[2'-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]benzonitrile;4-[4-[2'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]benzonitrile;4-[2'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]benzonitrile;4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2-yl]benzonitrile;4-[4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2-yl]phenyl]benzonitrile (PubChem CID 158157997) has the molecular formula C261H158N18OS4 and a molecular weight of 3690.53 g/mol. Its IUPAC name is 4-[2'-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]benzonitrile;4-[4-[2'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]benzonitrile;4-[2'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]benzonitrile;4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2-yl]benzonitrile;4-[4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[2'-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]benzonitrile;4-[4-[2'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]benzonitrile;4-[2'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]benzonitrile;4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2-yl]benzonitrile;4-[4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2-yl]phenyl]benzonitrile
PubChem CID158157997
Molecular FormulaC261H158N18OS4
Molecular Weight3690.53 g/mol
Exact Mass3687.17
IUPAC Name4-[2'-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]benzonitrile;4-[4-[2'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]benzonitrile;4-[2'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]benzonitrile;4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2-yl]benzonitrile;4-[4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2-yl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)cc53)c3ccccc3-4)cc2)cc1.N#Cc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5ccccc5Sc5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc53)c3ccccc3-4)cc2)cc1.N#Cc1ccc(-c2ccc3c(c2)C2(c4ccccc4Sc4ccc(-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cc42)c2ccccc2-3)cc1.N#Cc1ccc(-c2ccc3c(c2)C2(c4ccccc4Sc4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cc42)c2ccccc2-3)cc1.N#Cc1ccc(-c2ccc3c(c2)C2(c4ccccc4Sc4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc42)c2ccccc2-3)cc1
InChIInChI=1S/C54H33N3O.C54H33N3S.2C53H32N4S.C47H28N4S/c55-34-35-19-21-36(22-20-35)37-23-25-38(26-24-37)41-27-29-44-43-15-7-8-16-45(43)54(47(44)31-41)46-17-9-10-18-51(46)58-52-30-28-42(32-48(52)54)50-33-49(39-11-3-1-4-12-39)56-53(57-50)40-13-5-2-6-14-40;55-34-35-19-21-36(22-20-35)41-27-29-44-43-15-7-8-16-45(43)54(47(44)31-41)46-17-9-10-18-51(46)58-52-30-28-42(32-48(52)54)37-23-25-39(26-24-37)50-33-49(38-11-3-1-4-12-38)56-53(57-50)40-13-5-2-6-14-40;54-33-34-19-21-35(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;54-33-34-19-21-35(22-20-34)36-23-25-37(26-24-36)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)52-56-50(38-11-3-1-4-12-38)55-51(57-52)39-13-5-2-6-14-39;48-29-30-19-21-31(22-20-30)34-23-25-37-36-15-7-8-16-38(36)47(40(37)27-34)39-17-9-10-18-42(39)52-43-26-24-35(28-41(43)47)46-50-44(32-11-3-1-4-12-32)49-45(51-46)33-13-5-2-6-14-33/h2*1-33H;2*1-32H;1-28H
InChIKeyFVXUAVZGZBZHEQ-UHFFFAOYSA-N
XLogP63.71
TPSA295.75 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds24
Heavy Atoms284
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003690.53
LogP ≤ 563.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

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

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Related Compounds

4-[2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]benzonitrile
CID 139476222
4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]phenyl]benzonitrile
CID 139476204
4-[2'-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile
CID 146913231
4,6-diphenyl-2-(4-spiro[fluorene-9,9'-thioxanthene]-2-ylphenyl)pyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine
CID 157436117
4-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]benzonitrile
CID 146362830
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
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
2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-3'-ylpyrimidine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine
CID 158617816
2-[3-[6'-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-4-phenyl-6-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]-1,3,5-triazine
CID 166650929
7-[3-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-thioxanthene]-2-carbonitrile
CID 153452214
7'-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-carbonitrile
CID 146362373
4-[6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-3-yl]benzonitrile
CID 146362836

Frequently Asked Questions

What is the IUPAC name of 4-[2'-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]benzonitrile;4-[4-[2'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]benzonitrile;4-[2'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]benzonitrile;4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2-yl]benzonitrile;4-[4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2-yl]phenyl]benzonitrile?
The IUPAC name of 4-[2'-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]benzonitrile;4-[4-[2'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]benzonitrile;4-[2'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]benzonitrile;4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2-yl]benzonitrile;4-[4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2-yl]phenyl]benzonitrile (CID 158157997) is 4-[2'-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]benzonitrile;4-[4-[2'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]benzonitrile;4-[2'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]benzonitrile;4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2-yl]benzonitrile;4-[4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2-yl]phenyl]benzonitrile.
What is the SMILES notation for 4-[2'-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]benzonitrile;4-[4-[2'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]benzonitrile;4-[2'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]benzonitrile;4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2-yl]benzonitrile;4-[4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2-yl]phenyl]benzonitrile?
The canonical SMILES for 4-[2'-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]benzonitrile;4-[4-[2'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]benzonitrile;4-[2'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]benzonitrile;4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2-yl]benzonitrile;4-[4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2-yl]phenyl]benzonitrile is N#Cc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)cc53)c3ccccc3-4)cc2)cc1.N#Cc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5ccccc5Sc5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc53)c3ccccc3-4)cc2)cc1.N#Cc1ccc(-c2ccc3c(c2)C2(c4ccccc4Sc4ccc(-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cc42)c2ccccc2-3)cc1.N#Cc1ccc(-c2ccc3c(c2)C2(c4ccccc4Sc4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cc42)c2ccccc2-3)cc1.N#Cc1ccc(-c2ccc3c(c2)C2(c4ccccc4Sc4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc42)c2ccccc2-3)cc1.
What is the InChIKey of 4-[2'-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]benzonitrile;4-[4-[2'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]benzonitrile;4-[2'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]benzonitrile;4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2-yl]benzonitrile;4-[4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2-yl]phenyl]benzonitrile?
The InChIKey is FVXUAVZGZBZHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N3O.C54H33N3S.2C53H32N4S.C47H28N4S/c55-34-35-19-21-36(22-20-35)37-23-25-38(26-24-37)41-27-29-44-43-15-7-8-16-45(43)54(47(44)31-41)46-17-9-10-18-51(46)58-52-30-28-42(32-48(52)54)50-33-49(39-11-3-1-4-12-39)56-53(57-50)40-13-5-2-6-14-40;55-34-35-19-21-36(22-20-35)41-27-29-44-43-15-7-8-16-45(43)54(47(44)31-41)46-17-9-10-18-51(46)58-52-30-28-42(32-48(52)54)37-23-25-39(26-24-37)50-33-49(38-11-3-1-4-12-38)56-53(57-50)40-13-5-2-6-14-40;54-33-34-19-21-35(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;54-33-34-19-21-35(22-20-34)36-23-25-37(26-24-36)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)52-56-50(38-11-3-1-4-12-38)55-51(57-52)39-13-5-2-6-14-39;48-29-30-19-21-31(22-20-30)34-23-25-37-36-15-7-8-16-38(36)47(40(37)27-34)39-17-9-10-18-42(39)52-43-26-24-35(28-41(43)47)46-50-44(32-11-3-1-4-12-32)49-45(51-46)33-13-5-2-6-14-33/h2*1-33H;2*1-32H;1-28H.
What are the key properties of 4-[2'-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]benzonitrile;4-[4-[2'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]benzonitrile;4-[2'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]benzonitrile;4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2-yl]benzonitrile;4-[4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2-yl]phenyl]benzonitrile?
4-[2'-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]benzonitrile;4-[4-[2'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]benzonitrile;4-[2'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]benzonitrile;4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2-yl]benzonitrile;4-[4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2-yl]phenyl]benzonitrile has a molecular weight of 3690.53 g/mol, XLogP of 63.71, 24 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2'-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]benzonitrile;4-[4-[2'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]benzonitrile;4-[2'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]benzonitrile;4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2-yl]benzonitrile;4-[4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2-yl]phenyl]benzonitrile is sourced from PubChem (CID 158157997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).