2'-carbazol-9-yl-6'-[9-(3-carbazol-9-ylphenyl)carbazol-3-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-yl-6'-[9-(5-carbazol-9-yl-2-pyridinyl)carbazol-3-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-yl-6'-[9-(6-carbazol-9-yl-2-pyridinyl)carbazol-3-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-yl-6'-[9-(6-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]

C257H153N23S4 — CID 161163757

About 2'-carbazol-9-yl-6'-[9-(3-carbazol-9-ylphenyl)carbazol-3-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-yl-6'-[9-(5-carbazol-9-yl-2-pyridinyl)carbazol-3-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-yl-6'-[9-(6-carbazol-9-yl-2-pyridinyl)carbazol-3-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-yl-6'-[9-(6-carbazol-9-yl-3-pyridinyl)carbazol-3-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-yl-6'-[9-(3-carbazol-9-ylphenyl)carbazol-3-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-yl-6'-[9-(5-carbazol-9-yl-2-pyridinyl)carbazol-3-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-yl-6'-[9-(6-carbazol-9-yl-2-pyridinyl)carbazol-3-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-yl-6'-[9-(6-carbazol-9-yl-3-pyridinyl)carbazol-3-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 161163757) has the molecular formula C257H153N23S4 and a molecular weight of 3691.48 g/mol. Its IUPAC name is 2'-carbazol-9-yl-6'-[9-(3-carbazol-9-ylphenyl)carbazol-3-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-yl-6'-[9-(5-carbazol-9-yl-2-pyridinyl)carbazol-3-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-yl-6'-[9-(6-carbazol-9-yl-2-pyridinyl)carbazol-3-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-yl-6'-[9-(6-carbazol-9-yl-3-pyridinyl)carbazol-3-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-yl-6'-[9-(3-carbazol-9-ylphenyl)carbazol-3-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-yl-6'-[9-(5-carbazol-9-yl-2-pyridinyl)carbazol-3-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-yl-6'-[9-(6-carbazol-9-yl-2-pyridinyl)carbazol-3-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-yl-6'-[9-(6-carbazol-9-yl-3-pyridinyl)carbazol-3-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: 161163757
• Molecular Formula: C257H153N23S4
• Molecular Weight: 3691.48 g/mol
• Exact Mass: 3688.16
• IUPAC Name: 2'-carbazol-9-yl-6'-[9-(3-carbazol-9-ylphenyl)carbazol-3-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-yl-6'-[9-(5-carbazol-9-yl-2-pyridinyl)carbazol-3-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-yl-6'-[9-(6-carbazol-9-yl-2-pyridinyl)carbazol-3-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-yl-6'-[9-(6-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]
• SMILES: c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)Sc4ccc(-n6c7ccccc7c7ccccc76)cc4C54c5cccnc5-c5ncccc54)ccc32)c1.c1cc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3cc(-c4ccc5c(c4)Sc4ccc(-n6c7ccccc7c7ccccc76)cc4C54c5cccnc5-c5ncccc54)ccc32)c1.c1cnc2c(c1)C1(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-n5c6ccccc6c6ccccc65)cn4)cc3Sc3ccc(-n4c5ccccc5c5ccccc54)cc31)c1cccnc1-2.c1cnc2c(c1)C1(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-n5c6ccccc6c6ccccc65)nc4)cc3Sc3ccc(-n4c5ccccc5c5ccccc54)cc31)c1cccnc1-2
• InChI: InChI=1S/C65H39N5S.3C64H38N6S/c1-6-23-55-45(16-1)46-17-2-7-24-56(46)68(55)42-14-11-15-43(38-42)69-59-27-10-5-20-49(59)50-36-40(29-32-60(50)69)41-28-31-51-62(37-41)71-61-33-30-44(70-57-25-8-3-18-47(57)48-19-4-9-26-58(48)70)39-54(61)65(51)52-21-12-34-66-63(52)64-53(65)22-13-35-67-64;1-6-20-53-43(13-1)44-14-2-7-21-54(44)68(53)41-27-31-59-52(37-41)64(50-18-11-33-65-62(50)63-51(64)19-12-34-66-63)49-29-25-40(36-60(49)71-59)39-26-30-58-48(35-39)47-17-5-8-22-55(47)69(58)42-28-32-61(67-38-42)70-56-23-9-3-15-45(56)46-16-4-10-24-57(46)70;1-6-21-52-42(14-1)43-15-2-7-22-53(43)68(52)41-30-33-58-51(38-41)64(49-19-12-34-65-62(49)63-50(64)20-13-35-66-63)48-31-28-40(37-59(48)71-58)39-29-32-57-47(36-39)46-18-5-10-25-56(46)70(57)61-27-11-26-60(67-61)69-54-23-8-3-16-44(54)45-17-4-9-24-55(45)69;1-6-20-53-43(13-1)44-14-2-7-21-54(44)68(53)41-27-31-59-52(37-41)64(50-18-11-33-65-62(50)63-51(64)19-12-34-66-63)49-29-25-40(36-60(49)71-59)39-26-30-58-48(35-39)47-17-5-10-24-57(47)70(58)61-32-28-42(38-67-61)69-55-22-8-3-15-45(55)46-16-4-9-23-56(46)69/h1-39H;3*1-38H
• InChIKey: UQGKEBPUNGDEFK-UHFFFAOYSA-N
• XLogP: 63.24
• TPSA: 200.95 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 16
• Heavy Atoms: 284
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3691.48
LogP ≤ 5	63.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 2'-carbazol-9-yl-6'-[9-(3-carbazol-9-ylphenyl)carbazol-3-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-yl-6'-[9-(5-carbazol-9-yl-2-pyridinyl)carbazol-3-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-yl-6'-[9-(6-carbazol-9-yl-2-pyridinyl)carbazol-3-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-yl-6'-[9-(6-carbazol-9-yl-3-pyridinyl)carbazol-3-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-yl-6'-[9-(3-carbazol-9-ylphenyl)carbazol-3-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-yl-6'-[9-(5-carbazol-9-yl-2-pyridinyl)carbazol-3-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-yl-6'-[9-(6-carbazol-9-yl-2-pyridinyl)carbazol-3-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-yl-6'-[9-(6-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene] (CID 161163757) is 2'-carbazol-9-yl-6'-[9-(3-carbazol-9-ylphenyl)carbazol-3-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-yl-6'-[9-(5-carbazol-9-yl-2-pyridinyl)carbazol-3-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-yl-6'-[9-(6-carbazol-9-yl-2-pyridinyl)carbazol-3-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-yl-6'-[9-(6-carbazol-9-yl-3-pyridinyl)carbazol-3-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-yl-6'-[9-(3-carbazol-9-ylphenyl)carbazol-3-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-yl-6'-[9-(5-carbazol-9-yl-2-pyridinyl)carbazol-3-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-yl-6'-[9-(6-carbazol-9-yl-2-pyridinyl)carbazol-3-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-yl-6'-[9-(6-carbazol-9-yl-3-pyridinyl)carbazol-3-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-yl-6'-[9-(3-carbazol-9-ylphenyl)carbazol-3-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-yl-6'-[9-(5-carbazol-9-yl-2-pyridinyl)carbazol-3-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-yl-6'-[9-(6-carbazol-9-yl-2-pyridinyl)carbazol-3-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-yl-6'-[9-(6-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene] is c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)Sc4ccc(-n6c7ccccc7c7ccccc76)cc4C54c5cccnc5-c5ncccc54)ccc32)c1.c1cc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3cc(-c4ccc5c(c4)Sc4ccc(-n6c7ccccc7c7ccccc76)cc4C54c5cccnc5-c5ncccc54)ccc32)c1.c1cnc2c(c1)C1(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-n5c6ccccc6c6ccccc65)cn4)cc3Sc3ccc(-n4c5ccccc5c5ccccc54)cc31)c1cccnc1-2.c1cnc2c(c1)C1(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-n5c6ccccc6c6ccccc65)nc4)cc3Sc3ccc(-n4c5ccccc5c5ccccc54)cc31)c1cccnc1-2.

What is the InChIKey of 2'-carbazol-9-yl-6'-[9-(3-carbazol-9-ylphenyl)carbazol-3-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-yl-6'-[9-(5-carbazol-9-yl-2-pyridinyl)carbazol-3-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-yl-6'-[9-(6-carbazol-9-yl-2-pyridinyl)carbazol-3-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-yl-6'-[9-(6-carbazol-9-yl-3-pyridinyl)carbazol-3-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 UQGKEBPUNGDEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H39N5S.3C64H38N6S/c1-6-23-55-45(16-1)46-17-2-7-24-56(46)68(55)42-14-11-15-43(38-42)69-59-27-10-5-20-49(59)50-36-40(29-32-60(50)69)41-28-31-51-62(37-41)71-61-33-30-44(70-57-25-8-3-18-47(57)48-19-4-9-26-58(48)70)39-54(61)65(51)52-21-12-34-66-63(52)64-53(65)22-13-35-67-64;1-6-20-53-43(13-1)44-14-2-7-21-54(44)68(53)41-27-31-59-52(37-41)64(50-18-11-33-65-62(50)63-51(64)19-12-34-66-63)49-29-25-40(36-60(49)71-59)39-26-30-58-48(35-39)47-17-5-8-22-55(47)69(58)42-28-32-61(67-38-42)70-56-23-9-3-15-45(56)46-16-4-10-24-57(46)70;1-6-21-52-42(14-1)43-15-2-7-22-53(43)68(52)41-30-33-58-51(38-41)64(49-19-12-34-65-62(49)63-50(64)20-13-35-66-63)48-31-28-40(37-59(48)71-58)39-29-32-57-47(36-39)46-18-5-10-25-56(46)70(57)61-27-11-26-60(67-61)69-54-23-8-3-16-44(54)45-17-4-9-24-55(45)69;1-6-20-53-43(13-1)44-14-2-7-21-54(44)68(53)41-27-31-59-52(37-41)64(50-18-11-33-65-62(50)63-51(64)19-12-34-66-63)49-29-25-40(36-60(49)71-59)39-26-30-58-48(35-39)47-17-5-10-24-57(47)70(58)61-32-28-42(38-67-61)69-55-22-8-3-15-45(55)46-16-4-9-23-56(46)69/h1-39H;3*1-38H.

What are the key properties of 2'-carbazol-9-yl-6'-[9-(3-carbazol-9-ylphenyl)carbazol-3-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-yl-6'-[9-(5-carbazol-9-yl-2-pyridinyl)carbazol-3-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-yl-6'-[9-(6-carbazol-9-yl-2-pyridinyl)carbazol-3-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-yl-6'-[9-(6-carbazol-9-yl-3-pyridinyl)carbazol-3-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-yl-6'-[9-(3-carbazol-9-ylphenyl)carbazol-3-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-yl-6'-[9-(5-carbazol-9-yl-2-pyridinyl)carbazol-3-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-yl-6'-[9-(6-carbazol-9-yl-2-pyridinyl)carbazol-3-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-yl-6'-[9-(6-carbazol-9-yl-3-pyridinyl)carbazol-3-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 3691.48 g/mol, XLogP of 63.24, 16 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2'-carbazol-9-yl-6'-[9-(3-carbazol-9-ylphenyl)carbazol-3-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-yl-6'-[9-(5-carbazol-9-yl-2-pyridinyl)carbazol-3-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-yl-6'-[9-(6-carbazol-9-yl-2-pyridinyl)carbazol-3-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-yl-6'-[9-(6-carbazol-9-yl-3-pyridinyl)carbazol-3-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 161163757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).