6-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4-carbonitrile;6-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-carbonitrile;4-[6-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;4-[6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;4-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;3-[3-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]phenyl]benzonitrile;4-[4-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]phenyl]benzonitrile

C366H223N21S7 — CID 160784718

IUPAC6-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4-carbonitrile;6-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-carbonitrile;4-[6-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;4-[6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;4-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;3-[3-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]phenyl]benzonitrile;4-[4-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3cccc4c3-c3cc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)ccc3C43c4ccccc4Sc4ccccc43)cc2)cc1.N#Cc1ccc(-c2cccc3c2-c2cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)ccc2C32c3ccccc3Sc3ccccc32)cc1.N#Cc1ccc(-c2cccc3c2-c2cc(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)ccc2C32c3ccccc3Sc3ccccc32)cc1.N#Cc1ccc(-c2cccc3c2-c2cc(-c4cccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4)ccc2C32c3ccccc3Sc3ccccc32)cc1.N#Cc1cccc(-c2cccc(-c3cccc4c3-c3cc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)ccc3C43c4ccccc4Sc4ccccc43)c2)c1.N#Cc1cccc2c1-c1cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4)c3)ccc1C21c2ccccc2Sc2ccccc21.N#Cc1cccc2c1-c1cc(-c3ccccc3-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)ccc1C21c2ccccc2Sc2ccccc21
InChIInChI=1S/5C54H33N3S.2C48H29N3S/c55-34-35-14-11-19-38(30-35)39-20-12-21-40(31-39)42-22-13-25-47-52(42)43-32-41(53-56-48(36-15-3-1-4-16-36)33-49(57-53)37-17-5-2-6-18-37)28-29-44(43)54(47)45-23-7-9-26-50(45)58-51-27-10-8-24-46(51)54;55-34-42-22-13-25-47-52(42)43-32-40(28-29-44(43)54(47)45-23-7-9-26-50(45)58-51-27-10-8-24-46(51)54)38-19-11-18-37(30-38)39-20-12-21-41(31-39)53-56-48(35-14-3-1-4-15-35)33-49(57-53)36-16-5-2-6-17-36;55-34-35-25-27-36(28-26-35)42-19-12-22-47-52(42)43-32-40(29-30-44(43)54(47)45-20-7-9-23-50(45)58-51-24-10-8-21-46(51)54)39-17-11-18-41(31-39)53-56-48(37-13-3-1-4-14-37)33-49(57-53)38-15-5-2-6-16-38;55-34-35-22-24-37(25-23-35)42-16-11-19-47-52(42)43-32-41(30-31-44(43)54(47)45-17-7-9-20-50(45)58-51-21-10-8-18-46(51)54)36-26-28-39(29-27-36)49-33-48(38-12-3-1-4-13-38)56-53(57-49)40-14-5-2-6-15-40;55-34-35-22-24-36(25-23-35)37-26-28-38(29-27-37)42-16-11-19-47-52(42)43-32-41(49-33-48(39-12-3-1-4-13-39)56-53(57-49)40-14-5-2-6-15-40)30-31-44(43)54(47)45-17-7-9-20-50(45)58-51-21-10-8-18-46(51)54;49-30-31-22-24-32(25-23-31)36-16-11-19-41-46(36)37-28-35(43-29-42(33-12-3-1-4-13-33)50-47(51-43)34-14-5-2-6-15-34)26-27-38(37)48(41)39-17-7-9-20-44(39)52-45-21-10-8-18-40(45)48;49-30-34-18-13-23-41-46(34)37-28-33(26-27-38(37)48(41)39-21-9-11-24-44(39)52-45-25-12-10-22-40(45)48)35-19-7-8-20-36(35)47-50-42(31-14-3-1-4-15-31)29-43(51-47)32-16-5-2-6-17-32/h5*1-33H;2*1-29H
InChIKeySBBCDECBBRBKCN-UHFFFAOYSA-N
MW5139.43 g/mol
LogP91.24
Rot. Bonds33

About 6-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4-carbonitrile;6-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-carbonitrile;4-[6-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;4-[6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;4-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;3-[3-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]phenyl]benzonitrile;4-[4-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]phenyl]benzonitrile

6-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4-carbonitrile;6-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-carbonitrile;4-[6-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;4-[6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;4-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;3-[3-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]phenyl]benzonitrile;4-[4-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]phenyl]benzonitrile (PubChem CID 160784718) has the molecular formula C366H223N21S7 and a molecular weight of 5139.43 g/mol. Its IUPAC name is 6-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4-carbonitrile;6-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-carbonitrile;4-[6-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;4-[6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;4-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;3-[3-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]phenyl]benzonitrile;4-[4-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name6-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4-carbonitrile;6-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-carbonitrile;4-[6-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;4-[6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;4-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;3-[3-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]phenyl]benzonitrile;4-[4-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]phenyl]benzonitrile
PubChem CID160784718
Molecular FormulaC366H223N21S7
Molecular Weight5139.43 g/mol
Exact Mass5134.61
IUPAC Name6-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4-carbonitrile;6-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-carbonitrile;4-[6-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;4-[6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;4-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;3-[3-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]phenyl]benzonitrile;4-[4-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3cccc4c3-c3cc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)ccc3C43c4ccccc4Sc4ccccc43)cc2)cc1.N#Cc1ccc(-c2cccc3c2-c2cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)ccc2C32c3ccccc3Sc3ccccc32)cc1.N#Cc1ccc(-c2cccc3c2-c2cc(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)ccc2C32c3ccccc3Sc3ccccc32)cc1.N#Cc1ccc(-c2cccc3c2-c2cc(-c4cccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4)ccc2C32c3ccccc3Sc3ccccc32)cc1.N#Cc1cccc(-c2cccc(-c3cccc4c3-c3cc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)ccc3C43c4ccccc4Sc4ccccc43)c2)c1.N#Cc1cccc2c1-c1cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4)c3)ccc1C21c2ccccc2Sc2ccccc21.N#Cc1cccc2c1-c1cc(-c3ccccc3-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)ccc1C21c2ccccc2Sc2ccccc21
InChIInChI=1S/5C54H33N3S.2C48H29N3S/c55-34-35-14-11-19-38(30-35)39-20-12-21-40(31-39)42-22-13-25-47-52(42)43-32-41(53-56-48(36-15-3-1-4-16-36)33-49(57-53)37-17-5-2-6-18-37)28-29-44(43)54(47)45-23-7-9-26-50(45)58-51-27-10-8-24-46(51)54;55-34-42-22-13-25-47-52(42)43-32-40(28-29-44(43)54(47)45-23-7-9-26-50(45)58-51-27-10-8-24-46(51)54)38-19-11-18-37(30-38)39-20-12-21-41(31-39)53-56-48(35-14-3-1-4-15-35)33-49(57-53)36-16-5-2-6-17-36;55-34-35-25-27-36(28-26-35)42-19-12-22-47-52(42)43-32-40(29-30-44(43)54(47)45-20-7-9-23-50(45)58-51-24-10-8-21-46(51)54)39-17-11-18-41(31-39)53-56-48(37-13-3-1-4-14-37)33-49(57-53)38-15-5-2-6-16-38;55-34-35-22-24-37(25-23-35)42-16-11-19-47-52(42)43-32-41(30-31-44(43)54(47)45-17-7-9-20-50(45)58-51-21-10-8-18-46(51)54)36-26-28-39(29-27-36)49-33-48(38-12-3-1-4-13-38)56-53(57-49)40-14-5-2-6-15-40;55-34-35-22-24-36(25-23-35)37-26-28-38(29-27-37)42-16-11-19-47-52(42)43-32-41(49-33-48(39-12-3-1-4-13-39)56-53(57-49)40-14-5-2-6-15-40)30-31-44(43)54(47)45-17-7-9-20-50(45)58-51-21-10-8-18-46(51)54;49-30-31-22-24-32(25-23-31)36-16-11-19-41-46(36)37-28-35(43-29-42(33-12-3-1-4-13-33)50-47(51-43)34-14-5-2-6-15-34)26-27-38(37)48(41)39-17-7-9-20-44(39)52-45-21-10-8-18-40(45)48;49-30-34-18-13-23-41-46(34)37-28-33(26-27-38(37)48(41)39-21-9-11-24-44(39)52-45-25-12-10-22-40(45)48)35-19-7-8-20-36(35)47-50-42(31-14-3-1-4-15-31)29-43(51-47)32-16-5-2-6-17-32/h5*1-33H;2*1-29H
InChIKeySBBCDECBBRBKCN-UHFFFAOYSA-N
XLogP91.24
TPSA346.99 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds33
Heavy Atoms394
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005139.43
LogP ≤ 591.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 6-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4-carbonitrile;6-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-carbonitrile;4-[6-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;4-[6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;4-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;3-[3-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]phenyl]benzonitrile;4-[4-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]phenyl]benzonitrile with MolForge

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Related Compounds

CID 146184527
CID 146184527
3-[5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile
CID 146362511
6-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-3-carbonitrile
CID 146362493
4-[6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-3-yl]benzonitrile
CID 146362836
6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-carbonitrile
CID 166796549
6'-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-3'-carbonitrile
CID 153452261
4-[6-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4-yl]benzonitrile
CID 139476262
7-[3-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-thioxanthene]-2-carbonitrile
CID 153452214
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
4-[4-[3-[2-[3-[6'-cyano-4-[3-[4-[6-[3-(6'-cyanospiro[fluorene-9,9'-xanthene]-3'-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-phenylpyrimidin-4-yl]phenyl]phenyl]-6'-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-carbonitrile
CID 163794326
4-[2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]benzonitrile
CID 139476222
2-[7'-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]benzonitrile
CID 146362606

Frequently Asked Questions

What is the IUPAC name of 6-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4-carbonitrile;6-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-carbonitrile;4-[6-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;4-[6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;4-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;3-[3-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]phenyl]benzonitrile;4-[4-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]phenyl]benzonitrile?
The IUPAC name of 6-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4-carbonitrile;6-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-carbonitrile;4-[6-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;4-[6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;4-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;3-[3-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]phenyl]benzonitrile;4-[4-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]phenyl]benzonitrile (CID 160784718) is 6-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4-carbonitrile;6-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-carbonitrile;4-[6-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;4-[6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;4-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;3-[3-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]phenyl]benzonitrile;4-[4-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]phenyl]benzonitrile.
What is the SMILES notation for 6-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4-carbonitrile;6-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-carbonitrile;4-[6-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;4-[6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;4-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;3-[3-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]phenyl]benzonitrile;4-[4-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]phenyl]benzonitrile?
The canonical SMILES for 6-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4-carbonitrile;6-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-carbonitrile;4-[6-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;4-[6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;4-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;3-[3-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]phenyl]benzonitrile;4-[4-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]phenyl]benzonitrile is N#Cc1ccc(-c2ccc(-c3cccc4c3-c3cc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)ccc3C43c4ccccc4Sc4ccccc43)cc2)cc1.N#Cc1ccc(-c2cccc3c2-c2cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)ccc2C32c3ccccc3Sc3ccccc32)cc1.N#Cc1ccc(-c2cccc3c2-c2cc(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)ccc2C32c3ccccc3Sc3ccccc32)cc1.N#Cc1ccc(-c2cccc3c2-c2cc(-c4cccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4)ccc2C32c3ccccc3Sc3ccccc32)cc1.N#Cc1cccc(-c2cccc(-c3cccc4c3-c3cc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)ccc3C43c4ccccc4Sc4ccccc43)c2)c1.N#Cc1cccc2c1-c1cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4)c3)ccc1C21c2ccccc2Sc2ccccc21.N#Cc1cccc2c1-c1cc(-c3ccccc3-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)ccc1C21c2ccccc2Sc2ccccc21.
What is the InChIKey of 6-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4-carbonitrile;6-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-carbonitrile;4-[6-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;4-[6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;4-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;3-[3-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]phenyl]benzonitrile;4-[4-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]phenyl]benzonitrile?
The InChIKey is SBBCDECBBRBKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/5C54H33N3S.2C48H29N3S/c55-34-35-14-11-19-38(30-35)39-20-12-21-40(31-39)42-22-13-25-47-52(42)43-32-41(53-56-48(36-15-3-1-4-16-36)33-49(57-53)37-17-5-2-6-18-37)28-29-44(43)54(47)45-23-7-9-26-50(45)58-51-27-10-8-24-46(51)54;55-34-42-22-13-25-47-52(42)43-32-40(28-29-44(43)54(47)45-23-7-9-26-50(45)58-51-27-10-8-24-46(51)54)38-19-11-18-37(30-38)39-20-12-21-41(31-39)53-56-48(35-14-3-1-4-15-35)33-49(57-53)36-16-5-2-6-17-36;55-34-35-25-27-36(28-26-35)42-19-12-22-47-52(42)43-32-40(29-30-44(43)54(47)45-20-7-9-23-50(45)58-51-24-10-8-21-46(51)54)39-17-11-18-41(31-39)53-56-48(37-13-3-1-4-14-37)33-49(57-53)38-15-5-2-6-16-38;55-34-35-22-24-37(25-23-35)42-16-11-19-47-52(42)43-32-41(30-31-44(43)54(47)45-17-7-9-20-50(45)58-51-21-10-8-18-46(51)54)36-26-28-39(29-27-36)49-33-48(38-12-3-1-4-13-38)56-53(57-49)40-14-5-2-6-15-40;55-34-35-22-24-36(25-23-35)37-26-28-38(29-27-37)42-16-11-19-47-52(42)43-32-41(49-33-48(39-12-3-1-4-13-39)56-53(57-49)40-14-5-2-6-15-40)30-31-44(43)54(47)45-17-7-9-20-50(45)58-51-21-10-8-18-46(51)54;49-30-31-22-24-32(25-23-31)36-16-11-19-41-46(36)37-28-35(43-29-42(33-12-3-1-4-13-33)50-47(51-43)34-14-5-2-6-15-34)26-27-38(37)48(41)39-17-7-9-20-44(39)52-45-21-10-8-18-40(45)48;49-30-34-18-13-23-41-46(34)37-28-33(26-27-38(37)48(41)39-21-9-11-24-44(39)52-45-25-12-10-22-40(45)48)35-19-7-8-20-36(35)47-50-42(31-14-3-1-4-15-31)29-43(51-47)32-16-5-2-6-17-32/h5*1-33H;2*1-29H.
What are the key properties of 6-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4-carbonitrile;6-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-carbonitrile;4-[6-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;4-[6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;4-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;3-[3-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]phenyl]benzonitrile;4-[4-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]phenyl]benzonitrile?
6-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4-carbonitrile;6-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-carbonitrile;4-[6-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;4-[6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;4-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;3-[3-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]phenyl]benzonitrile;4-[4-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]phenyl]benzonitrile has a molecular weight of 5139.43 g/mol, XLogP of 91.24, 33 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4-carbonitrile;6-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-carbonitrile;4-[6-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;4-[6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;4-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;3-[3-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]phenyl]benzonitrile;4-[4-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]phenyl]benzonitrile is sourced from PubChem (CID 160784718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).