2'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2',5-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2',7'-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];3',5,6',11-tetra(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2',5,11-tri(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]

C259H154N22S5 — CID 160574097

About 2'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2',5-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2',7'-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];3',5,6',11-tetra(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2',5,11-tri(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]

2'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2',5-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2',7'-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];3',5,6',11-tetra(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2',5,11-tri(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene] (PubChem CID 160574097) has the molecular formula C259H154N22S5 and a molecular weight of 3734.57 g/mol. Its IUPAC name is 2'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2',5-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2',7'-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];3',5,6',11-tetra(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2',5,11-tri(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene].

Molecular Properties

• Compound Name: 2'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2',5-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2',7'-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];3',5,6',11-tetra(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2',5,11-tri(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]
• PubChem CID: 160574097
• Molecular Formula: C259H154N22S5
• Molecular Weight: 3734.57 g/mol
• Exact Mass: 3731.13
• IUPAC Name: 2'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2',5-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2',7'-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];3',5,6',11-tetra(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2',5,11-tri(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]
• SMILES: c1ccc2c(c1)Sc1ccc(-n3c4ccccc4c4ccccc43)cc1C21c2cc(-n3c4ccccc4c4ccccc43)cnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21.c1ccc2c(c1)Sc1ccc(-n3c4ccccc4c4ccccc43)cc1C21c2cccnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21.c1ccc2c(c1)Sc1ccc(-n3c4ccccc4c4ccccc43)cc1C21c2cccnc2-c2ncccc21.c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)Sc1cc(-n3c4ccccc4c4ccccc43)ccc1C21c2cc(-n3c4ccccc4c4ccccc43)cnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21.c1cnc2c(c1)C1(c3cc(-n4c5ccccc5c5ccccc54)ccc3Sc3ccc(-n4c5ccccc5c5ccccc54)cc31)c1cccnc1-2
• InChI: InChI=1S/C71H42N6S.C59H35N5S.2C47H28N4S.C35H21N3S/c1-9-25-59-47(17-1)48-18-2-10-26-60(48)74(59)43-33-35-55-67(39-43)78-68-40-44(75-61-27-11-3-19-49(61)50-20-4-12-28-62(50)75)34-36-56(68)71(55)57-37-45(76-63-29-13-5-21-51(63)52-22-6-14-30-64(52)76)41-72-69(57)70-58(71)38-46(42-73-70)77-65-31-15-7-23-53(65)54-24-8-16-32-66(54)77;1-8-22-49-39(15-1)40-16-2-9-23-50(40)62(49)36-29-30-56-46(31-36)59(45-21-7-14-28-55(45)65-56)47-32-37(63-51-24-10-3-17-41(51)42-18-4-11-25-52(42)63)34-60-57(47)58-48(59)33-38(35-61-58)64-53-26-12-5-19-43(53)44-20-6-13-27-54(44)64;1-6-18-39-31(12-1)32-13-2-7-19-40(32)50(39)29-23-24-44-37(26-29)47(35-16-5-10-22-43(35)52-44)36-17-11-25-48-45(36)46-38(47)27-30(28-49-46)51-41-20-8-3-14-33(41)34-15-4-9-21-42(34)51;1-5-17-39-31(11-1)32-12-2-6-18-40(32)50(39)29-21-23-43-37(27-29)47(35-15-9-25-48-45(35)46-36(47)16-10-26-49-46)38-28-30(22-24-44(38)52-43)51-41-19-7-3-13-33(41)34-14-4-8-20-42(34)51;1-4-14-29-23(9-1)24-10-2-5-15-30(24)38(29)22-17-18-32-28(21-22)35(25-11-3-6-16-31(25)39-32)26-12-7-19-36-33(26)34-27(35)13-8-20-37-34/h1-42H;1-35H;2*1-28H;1-21H
• InChIKey: RAXPYYOHTBGUAH-UHFFFAOYSA-N
• XLogP: 63.69
• TPSA: 188.06 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 12
• Heavy Atoms: 286
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3734.57
LogP ≤ 5	63.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 2'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2',5-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2',7'-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];3',5,6',11-tetra(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2',5,11-tri(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]?

The IUPAC name of 2'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2',5-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2',7'-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];3',5,6',11-tetra(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2',5,11-tri(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene] (CID 160574097) is 2'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2',5-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2',7'-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];3',5,6',11-tetra(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2',5,11-tri(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene].

What is the SMILES notation for 2'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2',5-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2',7'-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];3',5,6',11-tetra(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2',5,11-tri(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]?

The canonical SMILES for 2'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2',5-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2',7'-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];3',5,6',11-tetra(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2',5,11-tri(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene] is c1ccc2c(c1)Sc1ccc(-n3c4ccccc4c4ccccc43)cc1C21c2cc(-n3c4ccccc4c4ccccc43)cnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21.c1ccc2c(c1)Sc1ccc(-n3c4ccccc4c4ccccc43)cc1C21c2cccnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21.c1ccc2c(c1)Sc1ccc(-n3c4ccccc4c4ccccc43)cc1C21c2cccnc2-c2ncccc21.c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)Sc1cc(-n3c4ccccc4c4ccccc43)ccc1C21c2cc(-n3c4ccccc4c4ccccc43)cnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21.c1cnc2c(c1)C1(c3cc(-n4c5ccccc5c5ccccc54)ccc3Sc3ccc(-n4c5ccccc5c5ccccc54)cc31)c1cccnc1-2.

What is the InChIKey of 2'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2',5-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2',7'-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];3',5,6',11-tetra(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2',5,11-tri(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]?

The InChIKey is RAXPYYOHTBGUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H42N6S.C59H35N5S.2C47H28N4S.C35H21N3S/c1-9-25-59-47(17-1)48-18-2-10-26-60(48)74(59)43-33-35-55-67(39-43)78-68-40-44(75-61-27-11-3-19-49(61)50-20-4-12-28-62(50)75)34-36-56(68)71(55)57-37-45(76-63-29-13-5-21-51(63)52-22-6-14-30-64(52)76)41-72-69(57)70-58(71)38-46(42-73-70)77-65-31-15-7-23-53(65)54-24-8-16-32-66(54)77;1-8-22-49-39(15-1)40-16-2-9-23-50(40)62(49)36-29-30-56-46(31-36)59(45-21-7-14-28-55(45)65-56)47-32-37(63-51-24-10-3-17-41(51)42-18-4-11-25-52(42)63)34-60-57(47)58-48(59)33-38(35-61-58)64-53-26-12-5-19-43(53)44-20-6-13-27-54(44)64;1-6-18-39-31(12-1)32-13-2-7-19-40(32)50(39)29-23-24-44-37(26-29)47(35-16-5-10-22-43(35)52-44)36-17-11-25-48-45(36)46-38(47)27-30(28-49-46)51-41-20-8-3-14-33(41)34-15-4-9-21-42(34)51;1-5-17-39-31(11-1)32-12-2-6-18-40(32)50(39)29-21-23-43-37(27-29)47(35-15-9-25-48-45(35)46-36(47)16-10-26-49-46)38-28-30(22-24-44(38)52-43)51-41-19-7-3-13-33(41)34-14-4-8-20-42(34)51;1-4-14-29-23(9-1)24-10-2-5-15-30(24)38(29)22-17-18-32-28(21-22)35(25-11-3-6-16-31(25)39-32)26-12-7-19-36-33(26)34-27(35)13-8-20-37-34/h1-42H;1-35H;2*1-28H;1-21H.

What are the key properties of 2'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2',5-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2',7'-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];3',5,6',11-tetra(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2',5,11-tri(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]?

2'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2',5-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2',7'-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];3',5,6',11-tetra(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2',5,11-tri(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene] has a molecular weight of 3734.57 g/mol, XLogP of 63.69, 12 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2',5-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2',7'-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];3',5,6',11-tetra(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2',5,11-tri(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene] is sourced from PubChem (CID 160574097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).