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

C196H124N4S8 — CID 161398327

IUPAC9-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
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2ccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc2S3)cc1.c1ccc(-c2ccc3c(c2)Sc2cc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)ccc2C32c3ccccc3Sc3ccccc32)cc1.c1ccc(-c2cccc3c2C2(c4ccccc4Sc4ccccc42)c2ccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc2S3)cc1.c1ccc(-c2cccc3c2Sc2cc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)ccc2C32c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/4C49H31NS2/c1-3-15-32(16-4-1)35-20-14-28-45-47(35)49(39-23-8-11-26-43(39)51-44-27-12-9-24-40(44)49)41-30-29-33(31-46(41)52-45)36-21-13-22-38-37-19-7-10-25-42(37)50(48(36)38)34-17-5-2-6-18-34;1-3-15-32(16-4-1)36-21-14-25-42-48(36)52-46-31-33(29-30-41(46)49(42)39-23-8-11-27-44(39)51-45-28-12-9-24-40(45)49)35-20-13-22-38-37-19-7-10-26-43(37)50(47(35)38)34-17-5-2-6-18-34;1-3-14-32(15-4-1)33-27-29-46-42(30-33)49(39-21-8-11-24-44(39)51-45-25-12-9-22-40(45)49)41-28-26-34(31-47(41)52-46)36-19-13-20-38-37-18-7-10-23-43(37)50(48(36)38)35-16-5-2-6-17-35;1-3-14-32(15-4-1)33-26-28-41-46(30-33)52-47-31-34(27-29-42(47)49(41)39-21-8-11-24-44(39)51-45-25-12-9-22-40(45)49)36-19-13-20-38-37-18-7-10-23-43(37)50(48(36)38)35-16-5-2-6-17-35/h4*1-31H
InChIKeyVTWZOFQPZJMSHZ-UHFFFAOYSA-N
MW2791.71 g/mol
LogP53.72
Rot. Bonds12

About 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

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 (PubChem CID 161398327) has the molecular formula C196H124N4S8 and a molecular weight of 2791.71 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-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
PubChem CID161398327
Molecular FormulaC196H124N4S8
Molecular Weight2791.71 g/mol
Exact Mass2788.76
IUPAC Name9-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
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2ccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc2S3)cc1.c1ccc(-c2ccc3c(c2)Sc2cc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)ccc2C32c3ccccc3Sc3ccccc32)cc1.c1ccc(-c2cccc3c2C2(c4ccccc4Sc4ccccc42)c2ccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc2S3)cc1.c1ccc(-c2cccc3c2Sc2cc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)ccc2C32c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/4C49H31NS2/c1-3-15-32(16-4-1)35-20-14-28-45-47(35)49(39-23-8-11-26-43(39)51-44-27-12-9-24-40(44)49)41-30-29-33(31-46(41)52-45)36-21-13-22-38-37-19-7-10-25-42(37)50(48(36)38)34-17-5-2-6-18-34;1-3-15-32(16-4-1)36-21-14-25-42-48(36)52-46-31-33(29-30-41(46)49(42)39-23-8-11-27-44(39)51-45-28-12-9-24-40(45)49)35-20-13-22-38-37-19-7-10-26-43(37)50(47(35)38)34-17-5-2-6-18-34;1-3-14-32(15-4-1)33-27-29-46-42(30-33)49(39-21-8-11-24-44(39)51-45-25-12-9-22-40(45)49)41-28-26-34(31-47(41)52-46)36-19-13-20-38-37-18-7-10-23-43(37)50(48(36)38)35-16-5-2-6-17-35;1-3-14-32(15-4-1)33-26-28-41-46(30-33)52-47-31-34(27-29-42(47)49(41)39-21-8-11-24-44(39)51-45-25-12-9-22-40(45)49)36-19-13-20-38-37-18-7-10-23-43(37)50(48(36)38)35-16-5-2-6-17-35/h4*1-31H
InChIKeyVTWZOFQPZJMSHZ-UHFFFAOYSA-N
XLogP53.72
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002791.71
LogP ≤ 553.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Related Compounds

9-phenyl-1-(8-phenyl-9,9'-spirobi[thioxanthene]-3-yl)carbazole
CID 118698347
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-(7'-phenyl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole
CID 118698641
9-phenyl-1-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-1-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-2'-yl)carbazole;9-phenyl-1-(3'-pyridin-2-yl-9,9'-spirobi[thioxanthene]-3-yl)carbazole;9-phenyl-1-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole;9-phenyl-1-(6-pyridin-2-yl-9,9'-spirobi[thioxanthene]-3-yl)carbazole;9-phenyl-1-(6-pyridin-2-yl-9,9'-spirobi[thioxanthene]-4-yl)carbazole;9-phenyl-2-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-2-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-2'-yl)carbazole
CID 159692773
9-phenyl-1-(6-phenyl-9,9'-spirobi[thioxanthene]-1-yl)carbazole
CID 118698352
9-phenyl-3-(1-phenyl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole
CID 118698293
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
1,1'-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-(5-phenyl-9,9'-spirobi[thioxanthene]-3-yl)carbazole
CID 118698376
1-(1',4'-diphenyl-9,9'-spirobi[thioxanthene]-1-yl)-9-phenylcarbazole
CID 118698639
9-phenyl-3-(5'-phenyl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole
CID 118698364
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-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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2ccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc2S3)cc1.c1ccc(-c2ccc3c(c2)Sc2cc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)ccc2C32c3ccccc3Sc3ccccc32)cc1.c1ccc(-c2cccc3c2C2(c4ccccc4Sc4ccccc42)c2ccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc2S3)cc1.c1ccc(-c2cccc3c2Sc2cc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)ccc2C32c3ccccc3Sc3ccccc32)cc1.
What is the InChIKey of 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?
The InChIKey is VTWZOFQPZJMSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C49H31NS2/c1-3-15-32(16-4-1)35-20-14-28-45-47(35)49(39-23-8-11-26-43(39)51-44-27-12-9-24-40(44)49)41-30-29-33(31-46(41)52-45)36-21-13-22-38-37-19-7-10-25-42(37)50(48(36)38)34-17-5-2-6-18-34;1-3-15-32(16-4-1)36-21-14-25-42-48(36)52-46-31-33(29-30-41(46)49(42)39-23-8-11-27-44(39)51-45-28-12-9-24-40(45)49)35-20-13-22-38-37-19-7-10-26-43(37)50(47(35)38)34-17-5-2-6-18-34;1-3-14-32(15-4-1)33-27-29-46-42(30-33)49(39-21-8-11-24-44(39)51-45-25-12-9-22-40(45)49)41-28-26-34(31-47(41)52-46)36-19-13-20-38-37-18-7-10-23-43(37)50(48(36)38)35-16-5-2-6-17-35;1-3-14-32(15-4-1)33-26-28-41-46(30-33)52-47-31-34(27-29-42(47)49(41)39-21-8-11-24-44(39)51-45-25-12-9-22-40(45)49)36-19-13-20-38-37-18-7-10-23-43(37)50(48(36)38)35-16-5-2-6-17-35/h4*1-31H.
What are the key properties of 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?
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 has a molecular weight of 2791.71 g/mol, XLogP of 53.72, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161398327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).