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]

C296H192S16 — CID 160734035

IUPAC1,1'-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]
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4S3)c3ccccc3Sc3ccc(-c4ccccc4)cc32)cc1.c1ccc(-c2ccc3c(c2)C2(c4ccccc4S3)c3ccccc3Sc3cccc(-c4ccccc4)c32)cc1.c1ccc(-c2ccc3c(c2)Sc2ccccc2C32c3ccccc3Sc3cc(-c4ccccc4)ccc32)cc1.c1ccc(-c2ccc3c(c2)Sc2ccccc2C32c3ccccc3Sc3ccc(-c4ccccc4)cc32)cc1.c1ccc(-c2ccc3c(c2)Sc2ccccc2C32c3ccccc3Sc3ccc(-c4ccccc4)cc32)cc1.c1ccc(-c2ccc3c(c2)Sc2ccccc2C32c3ccccc3Sc3cccc(-c4ccccc4)c32)cc1.c1ccc(-c2cccc3c2C2(c4ccccc4S3)c3ccccc3Sc3cccc(-c4ccccc4)c32)cc1.c1ccc(-c2cccc3c2Sc2ccccc2C32c3ccccc3Sc3cccc(-c4ccccc4)c32)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)38-34)30-20-8-10-23-33(30)39-36-28(18-11-21-31(36)37)26-15-5-2-6-16-26;1-3-13-25(14-4-1)27-17-11-23-33-35(27)37(29-19-7-9-21-31(29)38-33)30-20-8-10-22-32(30)39-34-24-12-18-28(36(34)37)26-15-5-2-6-16-26;1-3-12-25(13-4-1)27-22-23-34-31(24-27)37(29-17-7-9-19-32(29)38-34)30-18-8-10-20-33(30)39-35-21-11-16-28(36(35)37)26-14-5-2-6-15-26;1-3-12-25(13-4-1)27-22-23-31-35(24-27)39-33-20-10-8-18-30(33)37(31)29-17-7-9-19-32(29)38-34-21-11-16-28(36(34)37)26-14-5-2-6-15-26;2*1-3-11-25(12-4-1)27-20-22-35-32(23-27)37(29-15-7-9-17-33(29)38-35)30-16-8-10-18-34(30)39-36-24-28(19-21-31(36)37)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)38-35)30-16-8-10-18-34(30)39-36-22-20-28(24-32(36)37)26-13-5-2-6-14-26;1-3-11-25(12-4-1)27-19-21-31-35(23-27)38-33-17-9-7-15-29(33)37(31)30-16-8-10-18-34(30)39-36-24-28(20-22-32(36)37)26-13-5-2-6-14-26/h8*1-24H
InChIKeyRUSFSOKEDZXAJR-UHFFFAOYSA-N
MW4261.86 g/mol
LogP82.66
Rot. Bonds16

About 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]

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] (PubChem CID 160734035) has the molecular formula C296H192S16 and a molecular weight of 4261.86 g/mol. Its IUPAC name is 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].

Molecular Properties

Compound Name1,1'-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]
PubChem CID160734035
Molecular FormulaC296H192S16
Molecular Weight4261.86 g/mol
Exact Mass4257.06
IUPAC Name1,1'-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]
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4S3)c3ccccc3Sc3ccc(-c4ccccc4)cc32)cc1.c1ccc(-c2ccc3c(c2)C2(c4ccccc4S3)c3ccccc3Sc3cccc(-c4ccccc4)c32)cc1.c1ccc(-c2ccc3c(c2)Sc2ccccc2C32c3ccccc3Sc3cc(-c4ccccc4)ccc32)cc1.c1ccc(-c2ccc3c(c2)Sc2ccccc2C32c3ccccc3Sc3ccc(-c4ccccc4)cc32)cc1.c1ccc(-c2ccc3c(c2)Sc2ccccc2C32c3ccccc3Sc3ccc(-c4ccccc4)cc32)cc1.c1ccc(-c2ccc3c(c2)Sc2ccccc2C32c3ccccc3Sc3cccc(-c4ccccc4)c32)cc1.c1ccc(-c2cccc3c2C2(c4ccccc4S3)c3ccccc3Sc3cccc(-c4ccccc4)c32)cc1.c1ccc(-c2cccc3c2Sc2ccccc2C32c3ccccc3Sc3cccc(-c4ccccc4)c32)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)38-34)30-20-8-10-23-33(30)39-36-28(18-11-21-31(36)37)26-15-5-2-6-16-26;1-3-13-25(14-4-1)27-17-11-23-33-35(27)37(29-19-7-9-21-31(29)38-33)30-20-8-10-22-32(30)39-34-24-12-18-28(36(34)37)26-15-5-2-6-16-26;1-3-12-25(13-4-1)27-22-23-34-31(24-27)37(29-17-7-9-19-32(29)38-34)30-18-8-10-20-33(30)39-35-21-11-16-28(36(35)37)26-14-5-2-6-15-26;1-3-12-25(13-4-1)27-22-23-31-35(24-27)39-33-20-10-8-18-30(33)37(31)29-17-7-9-19-32(29)38-34-21-11-16-28(36(34)37)26-14-5-2-6-15-26;2*1-3-11-25(12-4-1)27-20-22-35-32(23-27)37(29-15-7-9-17-33(29)38-35)30-16-8-10-18-34(30)39-36-24-28(19-21-31(36)37)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)38-35)30-16-8-10-18-34(30)39-36-22-20-28(24-32(36)37)26-13-5-2-6-14-26;1-3-11-25(12-4-1)27-19-21-31-35(23-27)38-33-17-9-7-15-29(33)37(31)30-16-8-10-18-34(30)39-36-24-28(20-22-32(36)37)26-13-5-2-6-14-26/h8*1-24H
InChIKeyRUSFSOKEDZXAJR-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 1,1'-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] with MolForge

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Related Compounds

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
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
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
2,6-diphenyl-9,9'-spirobi[thioxanthene]
CID 118698152
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
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
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-3-(1-phenyl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole
CID 118698293

Frequently Asked Questions

What is the IUPAC name of 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]?
The IUPAC name of 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) is 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].
What is the SMILES notation for 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]?
The canonical SMILES for 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] is c1ccc(-c2ccc3c(c2)C2(c4ccccc4S3)c3ccccc3Sc3ccc(-c4ccccc4)cc32)cc1.c1ccc(-c2ccc3c(c2)C2(c4ccccc4S3)c3ccccc3Sc3cccc(-c4ccccc4)c32)cc1.c1ccc(-c2ccc3c(c2)Sc2ccccc2C32c3ccccc3Sc3cc(-c4ccccc4)ccc32)cc1.c1ccc(-c2ccc3c(c2)Sc2ccccc2C32c3ccccc3Sc3ccc(-c4ccccc4)cc32)cc1.c1ccc(-c2ccc3c(c2)Sc2ccccc2C32c3ccccc3Sc3ccc(-c4ccccc4)cc32)cc1.c1ccc(-c2ccc3c(c2)Sc2ccccc2C32c3ccccc3Sc3cccc(-c4ccccc4)c32)cc1.c1ccc(-c2cccc3c2C2(c4ccccc4S3)c3ccccc3Sc3cccc(-c4ccccc4)c32)cc1.c1ccc(-c2cccc3c2Sc2ccccc2C32c3ccccc3Sc3cccc(-c4ccccc4)c32)cc1.
What is the InChIKey of 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]?
The InChIKey is RUSFSOKEDZXAJR-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)38-34)30-20-8-10-23-33(30)39-36-28(18-11-21-31(36)37)26-15-5-2-6-16-26;1-3-13-25(14-4-1)27-17-11-23-33-35(27)37(29-19-7-9-21-31(29)38-33)30-20-8-10-22-32(30)39-34-24-12-18-28(36(34)37)26-15-5-2-6-16-26;1-3-12-25(13-4-1)27-22-23-34-31(24-27)37(29-17-7-9-19-32(29)38-34)30-18-8-10-20-33(30)39-35-21-11-16-28(36(35)37)26-14-5-2-6-15-26;1-3-12-25(13-4-1)27-22-23-31-35(24-27)39-33-20-10-8-18-30(33)37(31)29-17-7-9-19-32(29)38-34-21-11-16-28(36(34)37)26-14-5-2-6-15-26;2*1-3-11-25(12-4-1)27-20-22-35-32(23-27)37(29-15-7-9-17-33(29)38-35)30-16-8-10-18-34(30)39-36-24-28(19-21-31(36)37)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)38-35)30-16-8-10-18-34(30)39-36-22-20-28(24-32(36)37)26-13-5-2-6-14-26;1-3-11-25(12-4-1)27-19-21-31-35(23-27)38-33-17-9-7-15-29(33)37(31)30-16-8-10-18-34(30)39-36-24-28(20-22-32(36)37)26-13-5-2-6-14-26/h8*1-24H.
What are the key properties of 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]?
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] 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 1,1'-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] is sourced from PubChem (CID 160734035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).