1',5'-diphenyl-9,9'-spirobi[thioxanthene];1,6-diphenyl-9,9'-spirobi[thioxanthene];2',5'-diphenyl-9,9'-spirobi[thioxanthene];2,6-diphenyl-9,9'-spirobi[thioxanthene];2',7'-diphenyl-9,9'-spirobi[thioxanthene];3,5-diphenyl-9,9'-spirobi[thioxanthene];3,6-diphenyl-9,9'-spirobi[thioxanthene];4',5'-diphenyl-9,9'-spirobi[thioxanthene]

C296H192S16 — CID 162076830

IUPAC1',5'-diphenyl-9,9'-spirobi[thioxanthene];1,6-diphenyl-9,9'-spirobi[thioxanthene];2',5'-diphenyl-9,9'-spirobi[thioxanthene];2,6-diphenyl-9,9'-spirobi[thioxanthene];2',7'-diphenyl-9,9'-spirobi[thioxanthene];3,5-diphenyl-9,9'-spirobi[thioxanthene];3,6-diphenyl-9,9'-spirobi[thioxanthene];4',5'-diphenyl-9,9'-spirobi[thioxanthene]
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2cc(-c4ccccc4)ccc2S3)cc1.c1ccc(-c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2cccc(-c4ccccc4)c2S3)cc1.c1ccc(-c2ccc3c(c2)Sc2c(-c4ccccc4)cccc2C32c3ccccc3Sc3ccccc32)cc1.c1ccc(-c2ccc3c(c2)Sc2cc(-c4ccccc4)ccc2C32c3ccccc3Sc3ccccc32)cc1.c1ccc(-c2ccc3c(c2)Sc2ccc(-c4ccccc4)cc2C32c3ccccc3Sc3ccccc32)cc1.c1ccc(-c2ccc3c(c2)Sc2cccc(-c4ccccc4)c2C32c3ccccc3Sc3ccccc32)cc1.c1ccc(-c2cccc3c2Sc2c(-c4ccccc4)cccc2C32c3ccccc3Sc3ccccc32)cc1.c1ccc(-c2cccc3c2Sc2cccc(-c4ccccc4)c2C32c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/8C37H24S2/c1-3-13-25(14-4-1)27-17-12-24-34-35(27)37(29-19-7-9-22-32(29)38-33-23-10-8-20-30(33)37)31-21-11-18-28(36(31)39-34)26-15-5-2-6-16-26;1-3-13-25(14-4-1)27-17-11-21-31-35(27)39-36-28(26-15-5-2-6-16-26)18-12-22-32(36)37(31)29-19-7-9-23-33(29)38-34-24-10-8-20-30(34)37;1-3-12-25(13-4-1)27-22-23-31-35(24-27)39-36-28(26-14-5-2-6-15-26)16-11-19-32(36)37(31)29-17-7-9-20-33(29)38-34-21-10-8-18-30(34)37;1-3-12-25(13-4-1)27-22-23-35-32(24-27)37(29-17-7-9-20-33(29)38-34-21-10-8-18-30(34)37)31-19-11-16-28(36(31)39-35)26-14-5-2-6-15-26;1-3-12-25(13-4-1)27-22-23-31-35(24-27)39-34-21-11-16-28(26-14-5-2-6-15-26)36(34)37(31)29-17-7-9-19-32(29)38-33-20-10-8-18-30(33)37;1-3-11-25(12-4-1)27-20-22-35-32(23-27)37(29-15-7-9-17-33(29)38-34-18-10-8-16-30(34)37)31-21-19-28(24-36(31)39-35)26-13-5-2-6-14-26;1-3-11-25(12-4-1)27-19-21-35-31(23-27)37(29-15-7-9-17-33(29)38-34-18-10-8-16-30(34)37)32-24-28(20-22-36(32)39-35)26-13-5-2-6-14-26;1-3-11-25(12-4-1)27-19-21-31-35(23-27)39-36-24-28(26-13-5-2-6-14-26)20-22-32(36)37(31)29-15-7-9-17-33(29)38-34-18-10-8-16-30(34)37/h8*1-24H
InChIKeyZBUVHAGMCNONLY-UHFFFAOYSA-N
MW4261.86 g/mol
LogP82.66
Rot. Bonds16

About 1',5'-diphenyl-9,9'-spirobi[thioxanthene];1,6-diphenyl-9,9'-spirobi[thioxanthene];2',5'-diphenyl-9,9'-spirobi[thioxanthene];2,6-diphenyl-9,9'-spirobi[thioxanthene];2',7'-diphenyl-9,9'-spirobi[thioxanthene];3,5-diphenyl-9,9'-spirobi[thioxanthene];3,6-diphenyl-9,9'-spirobi[thioxanthene];4',5'-diphenyl-9,9'-spirobi[thioxanthene]

1',5'-diphenyl-9,9'-spirobi[thioxanthene];1,6-diphenyl-9,9'-spirobi[thioxanthene];2',5'-diphenyl-9,9'-spirobi[thioxanthene];2,6-diphenyl-9,9'-spirobi[thioxanthene];2',7'-diphenyl-9,9'-spirobi[thioxanthene];3,5-diphenyl-9,9'-spirobi[thioxanthene];3,6-diphenyl-9,9'-spirobi[thioxanthene];4',5'-diphenyl-9,9'-spirobi[thioxanthene] (PubChem CID 162076830) has the molecular formula C296H192S16 and a molecular weight of 4261.86 g/mol. Its IUPAC name is 1',5'-diphenyl-9,9'-spirobi[thioxanthene];1,6-diphenyl-9,9'-spirobi[thioxanthene];2',5'-diphenyl-9,9'-spirobi[thioxanthene];2,6-diphenyl-9,9'-spirobi[thioxanthene];2',7'-diphenyl-9,9'-spirobi[thioxanthene];3,5-diphenyl-9,9'-spirobi[thioxanthene];3,6-diphenyl-9,9'-spirobi[thioxanthene];4',5'-diphenyl-9,9'-spirobi[thioxanthene].

Molecular Properties

Compound Name1',5'-diphenyl-9,9'-spirobi[thioxanthene];1,6-diphenyl-9,9'-spirobi[thioxanthene];2',5'-diphenyl-9,9'-spirobi[thioxanthene];2,6-diphenyl-9,9'-spirobi[thioxanthene];2',7'-diphenyl-9,9'-spirobi[thioxanthene];3,5-diphenyl-9,9'-spirobi[thioxanthene];3,6-diphenyl-9,9'-spirobi[thioxanthene];4',5'-diphenyl-9,9'-spirobi[thioxanthene]
PubChem CID162076830
Molecular FormulaC296H192S16
Molecular Weight4261.86 g/mol
Exact Mass4257.06
IUPAC Name1',5'-diphenyl-9,9'-spirobi[thioxanthene];1,6-diphenyl-9,9'-spirobi[thioxanthene];2',5'-diphenyl-9,9'-spirobi[thioxanthene];2,6-diphenyl-9,9'-spirobi[thioxanthene];2',7'-diphenyl-9,9'-spirobi[thioxanthene];3,5-diphenyl-9,9'-spirobi[thioxanthene];3,6-diphenyl-9,9'-spirobi[thioxanthene];4',5'-diphenyl-9,9'-spirobi[thioxanthene]
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2cc(-c4ccccc4)ccc2S3)cc1.c1ccc(-c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2cccc(-c4ccccc4)c2S3)cc1.c1ccc(-c2ccc3c(c2)Sc2c(-c4ccccc4)cccc2C32c3ccccc3Sc3ccccc32)cc1.c1ccc(-c2ccc3c(c2)Sc2cc(-c4ccccc4)ccc2C32c3ccccc3Sc3ccccc32)cc1.c1ccc(-c2ccc3c(c2)Sc2ccc(-c4ccccc4)cc2C32c3ccccc3Sc3ccccc32)cc1.c1ccc(-c2ccc3c(c2)Sc2cccc(-c4ccccc4)c2C32c3ccccc3Sc3ccccc32)cc1.c1ccc(-c2cccc3c2Sc2c(-c4ccccc4)cccc2C32c3ccccc3Sc3ccccc32)cc1.c1ccc(-c2cccc3c2Sc2cccc(-c4ccccc4)c2C32c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/8C37H24S2/c1-3-13-25(14-4-1)27-17-12-24-34-35(27)37(29-19-7-9-22-32(29)38-33-23-10-8-20-30(33)37)31-21-11-18-28(36(31)39-34)26-15-5-2-6-16-26;1-3-13-25(14-4-1)27-17-11-21-31-35(27)39-36-28(26-15-5-2-6-16-26)18-12-22-32(36)37(31)29-19-7-9-23-33(29)38-34-24-10-8-20-30(34)37;1-3-12-25(13-4-1)27-22-23-31-35(24-27)39-36-28(26-14-5-2-6-15-26)16-11-19-32(36)37(31)29-17-7-9-20-33(29)38-34-21-10-8-18-30(34)37;1-3-12-25(13-4-1)27-22-23-35-32(24-27)37(29-17-7-9-20-33(29)38-34-21-10-8-18-30(34)37)31-19-11-16-28(36(31)39-35)26-14-5-2-6-15-26;1-3-12-25(13-4-1)27-22-23-31-35(24-27)39-34-21-11-16-28(26-14-5-2-6-15-26)36(34)37(31)29-17-7-9-19-32(29)38-33-20-10-8-18-30(33)37;1-3-11-25(12-4-1)27-20-22-35-32(23-27)37(29-15-7-9-17-33(29)38-34-18-10-8-16-30(34)37)31-21-19-28(24-36(31)39-35)26-13-5-2-6-14-26;1-3-11-25(12-4-1)27-19-21-35-31(23-27)37(29-15-7-9-17-33(29)38-34-18-10-8-16-30(34)37)32-24-28(20-22-36(32)39-35)26-13-5-2-6-14-26;1-3-11-25(12-4-1)27-19-21-31-35(23-27)39-36-24-28(26-13-5-2-6-14-26)20-22-32(36)37(31)29-15-7-9-17-33(29)38-34-18-10-8-16-30(34)37/h8*1-24H
InChIKeyZBUVHAGMCNONLY-UHFFFAOYSA-N
XLogP82.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms312
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004261.86
LogP ≤ 582.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 1',5'-diphenyl-9,9'-spirobi[thioxanthene];1,6-diphenyl-9,9'-spirobi[thioxanthene];2',5'-diphenyl-9,9'-spirobi[thioxanthene];2,6-diphenyl-9,9'-spirobi[thioxanthene];2',7'-diphenyl-9,9'-spirobi[thioxanthene];3,5-diphenyl-9,9'-spirobi[thioxanthene];3,6-diphenyl-9,9'-spirobi[thioxanthene];4',5'-diphenyl-9,9'-spirobi[thioxanthene] 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

1,1'-diphenyl-9,9'-spirobi[thioxanthene];1',2-diphenyl-9,9'-spirobi[thioxanthene];1',3-diphenyl-9,9'-spirobi[thioxanthene];1,4'-diphenyl-9,9'-spirobi[thioxanthene];2,2'-diphenyl-9,9'-spirobi[thioxanthene];bis(2',3-diphenyl-9,9'-spirobi[thioxanthene]);3,3'-diphenyl-9,9'-spirobi[thioxanthene]
CID 160734035
1',7'-diphenyl-9,9'-spirobi[thioxanthene];1',8'-diphenyl-9,9'-spirobi[thioxanthene]
CID 159876269
9-phenyl-1-(5-phenyl-9,9'-spirobi[thioxanthene]-3-yl)carbazole;9-phenyl-1-(6-phenyl-9,9'-spirobi[thioxanthene]-3-yl)carbazole;9-phenyl-1-(7-phenyl-9,9'-spirobi[thioxanthene]-3-yl)carbazole;9-phenyl-1-(8-phenyl-9,9'-spirobi[thioxanthene]-3-yl)carbazole
CID 161398327
2,6-diphenyl-9,9'-spirobi[thioxanthene]
CID 118698152
9-phenyl-2-(4-phenyl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole;9-phenyl-3-(1-phenyl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-3-(2-phenyl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-3-(3-phenyl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole
CID 158222915
4',5'-diphenyl-9,9'-spirobi[thioxanthene]
CID 118698141
4,6-bis(4-phenylphenyl)-2-[6'-[3-[4-(6-phenyl-2-spiro[fluorene-9,9'-thioxanthene]-2'-ylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]pyrimidine
CID 166737876
2,4-diphenyl-6-[3-(4-spiro[fluorene-9,9'-thioxanthene]-4'-ylphenyl)phenyl]-1,3,5-triazine
CID 146326981
3,3',6,6'-tetraphenyl-9,9'-spirobi[thioxanthene]
CID 118698488
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-thioxanthene]-4'-ylphenyl)-1,3,5-triazine
CID 142469864
9-phenyl-4-(2-phenyl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole;9-phenyl-4-(3-phenyl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole;9-phenyl-4-(4-phenyl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole;9-phenyl-4-(8'-phenyl-9,9'-spirobi[xanthene]-1'-yl)carbazole
CID 159259452
9-phenyl-3-(1-phenyl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole
CID 118698293

Frequently Asked Questions

What is the IUPAC name of 1',5'-diphenyl-9,9'-spirobi[thioxanthene];1,6-diphenyl-9,9'-spirobi[thioxanthene];2',5'-diphenyl-9,9'-spirobi[thioxanthene];2,6-diphenyl-9,9'-spirobi[thioxanthene];2',7'-diphenyl-9,9'-spirobi[thioxanthene];3,5-diphenyl-9,9'-spirobi[thioxanthene];3,6-diphenyl-9,9'-spirobi[thioxanthene];4',5'-diphenyl-9,9'-spirobi[thioxanthene]?
The IUPAC name of 1',5'-diphenyl-9,9'-spirobi[thioxanthene];1,6-diphenyl-9,9'-spirobi[thioxanthene];2',5'-diphenyl-9,9'-spirobi[thioxanthene];2,6-diphenyl-9,9'-spirobi[thioxanthene];2',7'-diphenyl-9,9'-spirobi[thioxanthene];3,5-diphenyl-9,9'-spirobi[thioxanthene];3,6-diphenyl-9,9'-spirobi[thioxanthene];4',5'-diphenyl-9,9'-spirobi[thioxanthene] (CID 162076830) is 1',5'-diphenyl-9,9'-spirobi[thioxanthene];1,6-diphenyl-9,9'-spirobi[thioxanthene];2',5'-diphenyl-9,9'-spirobi[thioxanthene];2,6-diphenyl-9,9'-spirobi[thioxanthene];2',7'-diphenyl-9,9'-spirobi[thioxanthene];3,5-diphenyl-9,9'-spirobi[thioxanthene];3,6-diphenyl-9,9'-spirobi[thioxanthene];4',5'-diphenyl-9,9'-spirobi[thioxanthene].
What is the SMILES notation for 1',5'-diphenyl-9,9'-spirobi[thioxanthene];1,6-diphenyl-9,9'-spirobi[thioxanthene];2',5'-diphenyl-9,9'-spirobi[thioxanthene];2,6-diphenyl-9,9'-spirobi[thioxanthene];2',7'-diphenyl-9,9'-spirobi[thioxanthene];3,5-diphenyl-9,9'-spirobi[thioxanthene];3,6-diphenyl-9,9'-spirobi[thioxanthene];4',5'-diphenyl-9,9'-spirobi[thioxanthene]?
The canonical SMILES for 1',5'-diphenyl-9,9'-spirobi[thioxanthene];1,6-diphenyl-9,9'-spirobi[thioxanthene];2',5'-diphenyl-9,9'-spirobi[thioxanthene];2,6-diphenyl-9,9'-spirobi[thioxanthene];2',7'-diphenyl-9,9'-spirobi[thioxanthene];3,5-diphenyl-9,9'-spirobi[thioxanthene];3,6-diphenyl-9,9'-spirobi[thioxanthene];4',5'-diphenyl-9,9'-spirobi[thioxanthene] is c1ccc(-c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2cc(-c4ccccc4)ccc2S3)cc1.c1ccc(-c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2cccc(-c4ccccc4)c2S3)cc1.c1ccc(-c2ccc3c(c2)Sc2c(-c4ccccc4)cccc2C32c3ccccc3Sc3ccccc32)cc1.c1ccc(-c2ccc3c(c2)Sc2cc(-c4ccccc4)ccc2C32c3ccccc3Sc3ccccc32)cc1.c1ccc(-c2ccc3c(c2)Sc2ccc(-c4ccccc4)cc2C32c3ccccc3Sc3ccccc32)cc1.c1ccc(-c2ccc3c(c2)Sc2cccc(-c4ccccc4)c2C32c3ccccc3Sc3ccccc32)cc1.c1ccc(-c2cccc3c2Sc2c(-c4ccccc4)cccc2C32c3ccccc3Sc3ccccc32)cc1.c1ccc(-c2cccc3c2Sc2cccc(-c4ccccc4)c2C32c3ccccc3Sc3ccccc32)cc1.
What is the InChIKey of 1',5'-diphenyl-9,9'-spirobi[thioxanthene];1,6-diphenyl-9,9'-spirobi[thioxanthene];2',5'-diphenyl-9,9'-spirobi[thioxanthene];2,6-diphenyl-9,9'-spirobi[thioxanthene];2',7'-diphenyl-9,9'-spirobi[thioxanthene];3,5-diphenyl-9,9'-spirobi[thioxanthene];3,6-diphenyl-9,9'-spirobi[thioxanthene];4',5'-diphenyl-9,9'-spirobi[thioxanthene]?
The InChIKey is ZBUVHAGMCNONLY-UHFFFAOYSA-N. The full InChI is InChI=1S/8C37H24S2/c1-3-13-25(14-4-1)27-17-12-24-34-35(27)37(29-19-7-9-22-32(29)38-33-23-10-8-20-30(33)37)31-21-11-18-28(36(31)39-34)26-15-5-2-6-16-26;1-3-13-25(14-4-1)27-17-11-21-31-35(27)39-36-28(26-15-5-2-6-16-26)18-12-22-32(36)37(31)29-19-7-9-23-33(29)38-34-24-10-8-20-30(34)37;1-3-12-25(13-4-1)27-22-23-31-35(24-27)39-36-28(26-14-5-2-6-15-26)16-11-19-32(36)37(31)29-17-7-9-20-33(29)38-34-21-10-8-18-30(34)37;1-3-12-25(13-4-1)27-22-23-35-32(24-27)37(29-17-7-9-20-33(29)38-34-21-10-8-18-30(34)37)31-19-11-16-28(36(31)39-35)26-14-5-2-6-15-26;1-3-12-25(13-4-1)27-22-23-31-35(24-27)39-34-21-11-16-28(26-14-5-2-6-15-26)36(34)37(31)29-17-7-9-19-32(29)38-33-20-10-8-18-30(33)37;1-3-11-25(12-4-1)27-20-22-35-32(23-27)37(29-15-7-9-17-33(29)38-34-18-10-8-16-30(34)37)31-21-19-28(24-36(31)39-35)26-13-5-2-6-14-26;1-3-11-25(12-4-1)27-19-21-35-31(23-27)37(29-15-7-9-17-33(29)38-34-18-10-8-16-30(34)37)32-24-28(20-22-36(32)39-35)26-13-5-2-6-14-26;1-3-11-25(12-4-1)27-19-21-31-35(23-27)39-36-24-28(26-13-5-2-6-14-26)20-22-32(36)37(31)29-15-7-9-17-33(29)38-34-18-10-8-16-30(34)37/h8*1-24H.
What are the key properties of 1',5'-diphenyl-9,9'-spirobi[thioxanthene];1,6-diphenyl-9,9'-spirobi[thioxanthene];2',5'-diphenyl-9,9'-spirobi[thioxanthene];2,6-diphenyl-9,9'-spirobi[thioxanthene];2',7'-diphenyl-9,9'-spirobi[thioxanthene];3,5-diphenyl-9,9'-spirobi[thioxanthene];3,6-diphenyl-9,9'-spirobi[thioxanthene];4',5'-diphenyl-9,9'-spirobi[thioxanthene]?
1',5'-diphenyl-9,9'-spirobi[thioxanthene];1,6-diphenyl-9,9'-spirobi[thioxanthene];2',5'-diphenyl-9,9'-spirobi[thioxanthene];2,6-diphenyl-9,9'-spirobi[thioxanthene];2',7'-diphenyl-9,9'-spirobi[thioxanthene];3,5-diphenyl-9,9'-spirobi[thioxanthene];3,6-diphenyl-9,9'-spirobi[thioxanthene];4',5'-diphenyl-9,9'-spirobi[thioxanthene] has a molecular weight of 4261.86 g/mol, XLogP of 82.66, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1',5'-diphenyl-9,9'-spirobi[thioxanthene];1,6-diphenyl-9,9'-spirobi[thioxanthene];2',5'-diphenyl-9,9'-spirobi[thioxanthene];2,6-diphenyl-9,9'-spirobi[thioxanthene];2',7'-diphenyl-9,9'-spirobi[thioxanthene];3,5-diphenyl-9,9'-spirobi[thioxanthene];3,6-diphenyl-9,9'-spirobi[thioxanthene];4',5'-diphenyl-9,9'-spirobi[thioxanthene] is sourced from PubChem (CID 162076830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).