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

C196H124N4O2S6 — CID 159259452

IUPAC9-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
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4S3)c3ccccc3Sc3c(-c4cccc5c4c4ccccc4n5-c4ccccc4)cccc32)cc1.c1ccc(-c2ccc3c(c2)Sc2ccccc2C32c3ccccc3Sc3c(-c4cccc5c4c4ccccc4n5-c4ccccc4)cccc32)cc1.c1ccc(-c2cccc3c2C2(c4ccccc4Oc4ccccc42)c2c(cccc2-c2cccc4c2c2ccccc2n4-c2ccccc2)O3)cc1.c1ccc(-c2cccc3c2Sc2ccccc2C32c3ccccc3Sc3c(-c4cccc5c4c4ccccc4n5-c4ccccc4)cccc32)cc1
InChIInChI=1S/C49H31NO2.3C49H31NS2/c1-3-16-32(17-4-1)34-21-14-30-44-47(34)49(38-24-8-11-28-42(38)51-43-29-12-9-25-39(43)49)48-36(23-15-31-45(48)52-44)35-22-13-27-41-46(35)37-20-7-10-26-40(37)50(41)33-18-5-2-6-19-33;1-3-16-32(17-4-1)34-21-13-26-40-47(34)51-44-30-11-8-24-38(44)49(40)39-25-9-12-31-45(39)52-48-36(23-14-27-41(48)49)35-22-15-29-43-46(35)37-20-7-10-28-42(37)50(43)33-18-5-2-6-19-33;1-3-15-32(16-4-1)33-29-30-40-46(31-33)51-44-27-11-8-22-38(44)49(40)39-23-9-12-28-45(39)52-48-36(21-13-24-41(48)49)35-20-14-26-43-47(35)37-19-7-10-25-42(37)50(43)34-17-5-2-6-18-34;1-3-15-32(16-4-1)33-29-30-46-41(31-33)49(38-22-8-11-27-44(38)51-46)39-23-9-12-28-45(39)52-48-36(21-13-24-40(48)49)35-20-14-26-43-47(35)37-19-7-10-25-42(37)50(43)34-17-5-2-6-18-34/h4*1-31H
InChIKeyKWIBCLIXBICOFE-UHFFFAOYSA-N
MW2759.58 g/mol
LogP53.00
Rot. Bonds12

About 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

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 (PubChem CID 159259452) has the molecular formula C196H124N4O2S6 and a molecular weight of 2759.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-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
PubChem CID159259452
Molecular FormulaC196H124N4O2S6
Molecular Weight2759.58 g/mol
Exact Mass2756.80
IUPAC Name9-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
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4S3)c3ccccc3Sc3c(-c4cccc5c4c4ccccc4n5-c4ccccc4)cccc32)cc1.c1ccc(-c2ccc3c(c2)Sc2ccccc2C32c3ccccc3Sc3c(-c4cccc5c4c4ccccc4n5-c4ccccc4)cccc32)cc1.c1ccc(-c2cccc3c2C2(c4ccccc4Oc4ccccc42)c2c(cccc2-c2cccc4c2c2ccccc2n4-c2ccccc2)O3)cc1.c1ccc(-c2cccc3c2Sc2ccccc2C32c3ccccc3Sc3c(-c4cccc5c4c4ccccc4n5-c4ccccc4)cccc32)cc1
InChIInChI=1S/C49H31NO2.3C49H31NS2/c1-3-16-32(17-4-1)34-21-14-30-44-47(34)49(38-24-8-11-28-42(38)51-43-29-12-9-25-39(43)49)48-36(23-15-31-45(48)52-44)35-22-13-27-41-46(35)37-20-7-10-26-40(37)50(41)33-18-5-2-6-19-33;1-3-16-32(17-4-1)34-21-13-26-40-47(34)51-44-30-11-8-24-38(44)49(40)39-25-9-12-31-45(39)52-48-36(23-14-27-41(48)49)35-22-15-29-43-46(35)37-20-7-10-28-42(37)50(43)33-18-5-2-6-19-33;1-3-15-32(16-4-1)33-29-30-40-46(31-33)51-44-27-11-8-22-38(44)49(40)39-23-9-12-28-45(39)52-48-36(21-13-24-41(48)49)35-20-14-26-43-47(35)37-19-7-10-25-42(37)50(43)34-17-5-2-6-18-34;1-3-15-32(16-4-1)33-29-30-46-41(31-33)49(38-22-8-11-27-44(38)51-46)39-23-9-12-28-45(39)52-48-36(21-13-24-40(48)49)35-20-14-26-43-47(35)37-19-7-10-25-42(37)50(43)34-17-5-2-6-18-34/h4*1-31H
InChIKeyKWIBCLIXBICOFE-UHFFFAOYSA-N
XLogP53.00
TPSA38.18 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002759.58
LogP ≤ 553.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Related Compounds

9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-2'-yl)carbazole;9-phenyl-4-(3'-pyridin-2-yl-9,9'-spirobi[thioxanthene]-3-yl)carbazole;9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole;9-phenyl-4-(6-pyridin-2-yl-9,9'-spirobi[xanthene]-1-yl)carbazole;9-phenyl-4-(6-pyridin-2-yl-9,9'-spirobi[xanthene]-2-yl)carbazole;9-phenyl-4-(6-pyridin-2-yl-9,9'-spirobi[xanthene]-3-yl)carbazole;9-phenyl-4-(6-pyridin-2-yl-9,9'-spirobi[xanthene]-4-yl)carbazole
CID 158909916
9-phenyl-4-(5-phenyl-9,9'-spirobi[thioxanthene]-3-yl)carbazole
CID 118698376
9-phenyl-4-(1-phenyl-9,9'-spirobi[xanthene]-1'-yl)carbazole
CID 118698167
9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole
CID 118698412
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
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-4-(3-phenyl-9,9'-spirobi[xanthene]-4'-yl)carbazole
CID 118698170
9-phenyl-1-(7'-phenyl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole
CID 118698641
9-phenyl-4-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)carbazole
CID 118698161
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
9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-2'-yl)carbazole
CID 118698418
9-phenyl-3-(3-phenyl-9,9'-spirobi[thioxanthene]-2'-yl)carbazole
CID 118698300

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc3c(c2)C2(c4ccccc4S3)c3ccccc3Sc3c(-c4cccc5c4c4ccccc4n5-c4ccccc4)cccc32)cc1.c1ccc(-c2ccc3c(c2)Sc2ccccc2C32c3ccccc3Sc3c(-c4cccc5c4c4ccccc4n5-c4ccccc4)cccc32)cc1.c1ccc(-c2cccc3c2C2(c4ccccc4Oc4ccccc42)c2c(cccc2-c2cccc4c2c2ccccc2n4-c2ccccc2)O3)cc1.c1ccc(-c2cccc3c2Sc2ccccc2C32c3ccccc3Sc3c(-c4cccc5c4c4ccccc4n5-c4ccccc4)cccc32)cc1.
What is the InChIKey of 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?
The InChIKey is KWIBCLIXBICOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31NO2.3C49H31NS2/c1-3-16-32(17-4-1)34-21-14-30-44-47(34)49(38-24-8-11-28-42(38)51-43-29-12-9-25-39(43)49)48-36(23-15-31-45(48)52-44)35-22-13-27-41-46(35)37-20-7-10-26-40(37)50(41)33-18-5-2-6-19-33;1-3-16-32(17-4-1)34-21-13-26-40-47(34)51-44-30-11-8-24-38(44)49(40)39-25-9-12-31-45(39)52-48-36(23-14-27-41(48)49)35-22-15-29-43-46(35)37-20-7-10-28-42(37)50(43)33-18-5-2-6-19-33;1-3-15-32(16-4-1)33-29-30-40-46(31-33)51-44-27-11-8-22-38(44)49(40)39-23-9-12-28-45(39)52-48-36(21-13-24-41(48)49)35-20-14-26-43-47(35)37-19-7-10-25-42(37)50(43)34-17-5-2-6-18-34;1-3-15-32(16-4-1)33-29-30-46-41(31-33)49(38-22-8-11-27-44(38)51-46)39-23-9-12-28-45(39)52-48-36(21-13-24-40(48)49)35-20-14-26-43-47(35)37-19-7-10-25-42(37)50(43)34-17-5-2-6-18-34/h4*1-31H.
What are the key properties of 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?
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 has a molecular weight of 2759.58 g/mol, XLogP of 53.00, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159259452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).