5'-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile;5'-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile;4-[5'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4'-yl]naphthalene-1-carbonitrile;5'-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile;5'-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile

C268H163N15S5 — CID 161337157

IUPAC5'-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile;5'-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile;4-[5'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4'-yl]naphthalene-1-carbonitrile;5'-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile;5'-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile
SMILESN#Cc1ccc(-c2cccc3c2Sc2c(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cccc2C32c3ccccc3-c3ccccc32)c2ccccc12.N#Cc1cccc2c1Sc1c(-c3ccc(-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc3)cccc1C21c2ccccc2-c2ccccc21.N#Cc1cccc2c1Sc1c(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4)c3)cccc1C21c2ccccc2-c2ccccc21.N#Cc1cccc2c1Sc1c(-c3cccc(-c4nc(-c5ccccc5)cc(-c5ccc(-c6ccccc6)cc5)n4)c3)cccc1C21c2ccccc2-c2ccccc21.N#Cc1cccc2c1Sc1c(-c3cccc(-c4nc(-c5ccccc5)cc(-c5cccc(-c6ccccc6)c5)n4)c3)cccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/4C54H33N3S.C52H31N3S/c55-34-41-23-13-29-47-51(41)58-52-42(26-14-30-48(52)54(47)45-27-9-7-24-43(45)44-25-8-10-28-46(44)54)39-21-11-19-37(31-39)38-20-12-22-40(32-38)53-56-49(35-15-3-1-4-16-35)33-50(57-53)36-17-5-2-6-18-36;55-34-41-23-13-29-47-51(41)58-52-42(26-14-30-48(52)54(47)45-27-9-7-24-43(45)44-25-8-10-28-46(44)54)38-20-12-22-40(32-38)53-56-49(36-17-5-2-6-18-36)33-50(57-53)39-21-11-19-37(31-39)35-15-3-1-4-16-35;55-34-41-20-12-26-47-51(41)58-52-42(23-13-27-48(52)54(47)45-24-9-7-21-43(45)44-22-8-10-25-46(44)54)36-30-28-35(29-31-36)39-18-11-19-40(32-39)50-33-49(37-14-3-1-4-15-37)56-53(57-50)38-16-5-2-6-17-38;55-34-41-20-12-26-47-51(41)58-52-42(23-13-27-48(52)54(47)45-24-9-7-21-43(45)44-22-8-10-25-46(44)54)39-18-11-19-40(32-39)53-56-49(37-16-5-2-6-17-37)33-50(57-53)38-30-28-36(29-31-38)35-14-3-1-4-15-35;53-32-35-29-30-38(37-20-8-7-19-36(35)37)41-23-13-27-45-49(41)56-50-42(48-31-47(33-15-3-1-4-16-33)54-51(55-48)34-17-5-2-6-18-34)24-14-28-46(50)52(45)43-25-11-9-21-39(43)40-22-10-12-26-44(40)52/h4*1-33H;1-31H
InChIKeyVMELCCQSKNYIRB-UHFFFAOYSA-N
MW3753.69 g/mol
LogP67.04
Rot. Bonds24

About 5'-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile;5'-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile;4-[5'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4'-yl]naphthalene-1-carbonitrile;5'-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile;5'-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile

5'-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile;5'-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile;4-[5'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4'-yl]naphthalene-1-carbonitrile;5'-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile;5'-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile (PubChem CID 161337157) has the molecular formula C268H163N15S5 and a molecular weight of 3753.69 g/mol. Its IUPAC name is 5'-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile;5'-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile;4-[5'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4'-yl]naphthalene-1-carbonitrile;5'-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile;5'-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile.

Molecular Properties

Compound Name5'-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile;5'-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile;4-[5'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4'-yl]naphthalene-1-carbonitrile;5'-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile;5'-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile
PubChem CID161337157
Molecular FormulaC268H163N15S5
Molecular Weight3753.69 g/mol
Exact Mass3750.18
IUPAC Name5'-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile;5'-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile;4-[5'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4'-yl]naphthalene-1-carbonitrile;5'-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile;5'-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile
SMILESN#Cc1ccc(-c2cccc3c2Sc2c(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cccc2C32c3ccccc3-c3ccccc32)c2ccccc12.N#Cc1cccc2c1Sc1c(-c3ccc(-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc3)cccc1C21c2ccccc2-c2ccccc21.N#Cc1cccc2c1Sc1c(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4)c3)cccc1C21c2ccccc2-c2ccccc21.N#Cc1cccc2c1Sc1c(-c3cccc(-c4nc(-c5ccccc5)cc(-c5ccc(-c6ccccc6)cc5)n4)c3)cccc1C21c2ccccc2-c2ccccc21.N#Cc1cccc2c1Sc1c(-c3cccc(-c4nc(-c5ccccc5)cc(-c5cccc(-c6ccccc6)c5)n4)c3)cccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/4C54H33N3S.C52H31N3S/c55-34-41-23-13-29-47-51(41)58-52-42(26-14-30-48(52)54(47)45-27-9-7-24-43(45)44-25-8-10-28-46(44)54)39-21-11-19-37(31-39)38-20-12-22-40(32-38)53-56-49(35-15-3-1-4-16-35)33-50(57-53)36-17-5-2-6-18-36;55-34-41-23-13-29-47-51(41)58-52-42(26-14-30-48(52)54(47)45-27-9-7-24-43(45)44-25-8-10-28-46(44)54)38-20-12-22-40(32-38)53-56-49(36-17-5-2-6-18-36)33-50(57-53)39-21-11-19-37(31-39)35-15-3-1-4-16-35;55-34-41-20-12-26-47-51(41)58-52-42(23-13-27-48(52)54(47)45-24-9-7-21-43(45)44-22-8-10-25-46(44)54)36-30-28-35(29-31-36)39-18-11-19-40(32-39)50-33-49(37-14-3-1-4-15-37)56-53(57-50)38-16-5-2-6-17-38;55-34-41-20-12-26-47-51(41)58-52-42(23-13-27-48(52)54(47)45-24-9-7-21-43(45)44-22-8-10-25-46(44)54)39-18-11-19-40(32-39)53-56-49(37-16-5-2-6-17-37)33-50(57-53)38-30-28-36(29-31-38)35-14-3-1-4-15-35;53-32-35-29-30-38(37-20-8-7-19-36(35)37)41-23-13-27-45-49(41)56-50-42(48-31-47(33-15-3-1-4-16-33)54-51(55-48)34-17-5-2-6-18-34)24-14-28-46(50)52(45)43-25-11-9-21-39(43)40-22-10-12-26-44(40)52/h4*1-33H;1-31H
InChIKeyVMELCCQSKNYIRB-UHFFFAOYSA-N
XLogP67.04
TPSA247.85 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms288
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003753.69
LogP ≤ 567.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 5'-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile;5'-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile;4-[5'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4'-yl]naphthalene-1-carbonitrile;5'-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile;5'-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[7'-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]benzonitrile
CID 146362606
4-phenyl-6-(3-phenylphenyl)-2-(3-spiro[fluorene-9,9'-thioxanthene]-4'-ylphenyl)pyrimidine
CID 167178243
5'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile
CID 155767872
4-[5'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]naphthalene-1-carbonitrile
CID 146362173
4-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]naphthalene-1-carbonitrile;4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2-yl]naphthalene-1-carbonitrile;4-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2-yl]naphthalen-1-yl]benzonitrile;7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-thioxanthene]-2-carbonitrile
CID 158608993
2-phenyl-4-(2-phenylphenyl)-6-[3-(3-spiro[fluorene-9,9'-thioxanthene]-4'-ylphenyl)phenyl]pyrimidine
CID 167177866
4,6-diphenyl-2-[3-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine;4,6-diphenyl-2-[3-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine;4,6-diphenyl-2-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine;4,6-diphenyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine
CID 161181534
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidine
CID 146632493
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-4'-yl]naphthalene-1-carbonitrile
CID 139476887
2-[5'-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)spiro[fluorene-9,9'-thioxanthene]-4'-yl]benzonitrile
CID 146362545
7'-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9,9'-spirobi[fluorene]-2'-carbonitrile
CID 162775697
2,4-diphenyl-6-[3-(4-spiro[fluorene-9,9'-thioxanthene]-4'-ylphenyl)phenyl]-1,3,5-triazine
CID 146326981

Frequently Asked Questions

What is the IUPAC name of 5'-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile;5'-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile;4-[5'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4'-yl]naphthalene-1-carbonitrile;5'-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile;5'-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile?
The IUPAC name of 5'-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile;5'-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile;4-[5'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4'-yl]naphthalene-1-carbonitrile;5'-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile;5'-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile (CID 161337157) is 5'-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile;5'-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile;4-[5'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4'-yl]naphthalene-1-carbonitrile;5'-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile;5'-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile.
What is the SMILES notation for 5'-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile;5'-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile;4-[5'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4'-yl]naphthalene-1-carbonitrile;5'-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile;5'-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile?
The canonical SMILES for 5'-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile;5'-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile;4-[5'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4'-yl]naphthalene-1-carbonitrile;5'-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile;5'-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile is N#Cc1ccc(-c2cccc3c2Sc2c(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cccc2C32c3ccccc3-c3ccccc32)c2ccccc12.N#Cc1cccc2c1Sc1c(-c3ccc(-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc3)cccc1C21c2ccccc2-c2ccccc21.N#Cc1cccc2c1Sc1c(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4)c3)cccc1C21c2ccccc2-c2ccccc21.N#Cc1cccc2c1Sc1c(-c3cccc(-c4nc(-c5ccccc5)cc(-c5ccc(-c6ccccc6)cc5)n4)c3)cccc1C21c2ccccc2-c2ccccc21.N#Cc1cccc2c1Sc1c(-c3cccc(-c4nc(-c5ccccc5)cc(-c5cccc(-c6ccccc6)c5)n4)c3)cccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 5'-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile;5'-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile;4-[5'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4'-yl]naphthalene-1-carbonitrile;5'-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile;5'-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile?
The InChIKey is VMELCCQSKNYIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/4C54H33N3S.C52H31N3S/c55-34-41-23-13-29-47-51(41)58-52-42(26-14-30-48(52)54(47)45-27-9-7-24-43(45)44-25-8-10-28-46(44)54)39-21-11-19-37(31-39)38-20-12-22-40(32-38)53-56-49(35-15-3-1-4-16-35)33-50(57-53)36-17-5-2-6-18-36;55-34-41-23-13-29-47-51(41)58-52-42(26-14-30-48(52)54(47)45-27-9-7-24-43(45)44-25-8-10-28-46(44)54)38-20-12-22-40(32-38)53-56-49(36-17-5-2-6-18-36)33-50(57-53)39-21-11-19-37(31-39)35-15-3-1-4-16-35;55-34-41-20-12-26-47-51(41)58-52-42(23-13-27-48(52)54(47)45-24-9-7-21-43(45)44-22-8-10-25-46(44)54)36-30-28-35(29-31-36)39-18-11-19-40(32-39)50-33-49(37-14-3-1-4-15-37)56-53(57-50)38-16-5-2-6-17-38;55-34-41-20-12-26-47-51(41)58-52-42(23-13-27-48(52)54(47)45-24-9-7-21-43(45)44-22-8-10-25-46(44)54)39-18-11-19-40(32-39)53-56-49(37-16-5-2-6-17-37)33-50(57-53)38-30-28-36(29-31-38)35-14-3-1-4-15-35;53-32-35-29-30-38(37-20-8-7-19-36(35)37)41-23-13-27-45-49(41)56-50-42(48-31-47(33-15-3-1-4-16-33)54-51(55-48)34-17-5-2-6-18-34)24-14-28-46(50)52(45)43-25-11-9-21-39(43)40-22-10-12-26-44(40)52/h4*1-33H;1-31H.
What are the key properties of 5'-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile;5'-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile;4-[5'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4'-yl]naphthalene-1-carbonitrile;5'-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile;5'-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile?
5'-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile;5'-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile;4-[5'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4'-yl]naphthalene-1-carbonitrile;5'-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile;5'-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile has a molecular weight of 3753.69 g/mol, XLogP of 67.04, 24 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile;5'-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile;4-[5'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4'-yl]naphthalene-1-carbonitrile;5'-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile;5'-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile is sourced from PubChem (CID 161337157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).