9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,7-bis(2,8-diphenyldibenzothiophen-4-yl)carbazole;3-(2,8-diphenyldibenzothiophen-4-yl)-9-[3-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)phenyl]carbazole;49-phenyl-11-(6-phenyldibenzothiophen-4-yl)-25-thia-7-azatridecacyclo[40.10.2.12,6.114,18.07,15.08,13.019,24.023,27.026,31.032,37.036,41.043,48.050,54]hexapentaconta-1(53),2(56),3,5,8(13),9,11,14,16,18(55),19(24),20,22,26(31),27,29,32,34,36,38,40,42(54),43,45,47,49,51-heptacosaene

C242H147N3S5 — CID 158297236

About 9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,7-bis(2,8-diphenyldibenzothiophen-4-yl)carbazole;3-(2,8-diphenyldibenzothiophen-4-yl)-9-[3-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)phenyl]carbazole;49-phenyl-11-(6-phenyldibenzothiophen-4-yl)-25-thia-7-azatridecacyclo[40.10.2.12,6.114,18.07,15.08,13.019,24.023,27.026,31.032,37.036,41.043,48.050,54]hexapentaconta-1(53),2(56),3,5,8(13),9,11,14,16,18(55),19(24),20,22,26(31),27,29,32,34,36,38,40,42(54),43,45,47,49,51-heptacosaene

9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,7-bis(2,8-diphenyldibenzothiophen-4-yl)carbazole;3-(2,8-diphenyldibenzothiophen-4-yl)-9-[3-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)phenyl]carbazole;49-phenyl-11-(6-phenyldibenzothiophen-4-yl)-25-thia-7-azatridecacyclo[40.10.2.12,6.114,18.07,15.08,13.019,24.023,27.026,31.032,37.036,41.043,48.050,54]hexapentaconta-1(53),2(56),3,5,8(13),9,11,14,16,18(55),19(24),20,22,26(31),27,29,32,34,36,38,40,42(54),43,45,47,49,51-heptacosaene (PubChem CID 158297236) has the molecular formula C242H147N3S5 and a molecular weight of 3257.19 g/mol. Its IUPAC name is 9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,7-bis(2,8-diphenyldibenzothiophen-4-yl)carbazole;3-(2,8-diphenyldibenzothiophen-4-yl)-9-[3-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)phenyl]carbazole;49-phenyl-11-(6-phenyldibenzothiophen-4-yl)-25-thia-7-azatridecacyclo[40.10.2.12,6.114,18.07,15.08,13.019,24.023,27.026,31.032,37.036,41.043,48.050,54]hexapentaconta-1(53),2(56),3,5,8(13),9,11,14,16,18(55),19(24),20,22,26(31),27,29,32,34,36,38,40,42(54),43,45,47,49,51-heptacosaene.

Molecular Properties

• Compound Name: 9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,7-bis(2,8-diphenyldibenzothiophen-4-yl)carbazole;3-(2,8-diphenyldibenzothiophen-4-yl)-9-[3-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)phenyl]carbazole;49-phenyl-11-(6-phenyldibenzothiophen-4-yl)-25-thia-7-azatridecacyclo[40.10.2.12,6.114,18.07,15.08,13.019,24.023,27.026,31.032,37.036,41.043,48.050,54]hexapentaconta-1(53),2(56),3,5,8(13),9,11,14,16,18(55),19(24),20,22,26(31),27,29,32,34,36,38,40,42(54),43,45,47,49,51-heptacosaene
• PubChem CID: 158297236
• Molecular Formula: C242H147N3S5
• Molecular Weight: 3257.19 g/mol
• Exact Mass: 3254.02
• IUPAC Name: 9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,7-bis(2,8-diphenyldibenzothiophen-4-yl)carbazole;3-(2,8-diphenyldibenzothiophen-4-yl)-9-[3-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)phenyl]carbazole;49-phenyl-11-(6-phenyldibenzothiophen-4-yl)-25-thia-7-azatridecacyclo[40.10.2.12,6.114,18.07,15.08,13.019,24.023,27.026,31.032,37.036,41.043,48.050,54]hexapentaconta-1(53),2(56),3,5,8(13),9,11,14,16,18(55),19(24),20,22,26(31),27,29,32,34,36,38,40,42(54),43,45,47,49,51-heptacosaene
• SMILES: c1ccc(-c2c3ccccc3c3c4cc(ccc24)c2cccc(c2)n2c4ccc(-c5cccc6c5sc5c(-c7ccccc7)cccc56)cc4c4cc(ccc42)c2cccc4c5cccc(c6cccc7c6cccc73)c5sc24)cc1.c1ccc(-c2ccc3sc4c(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccc7c(-c8ccccc8)c8ccccc8c(-c8cccc9ccccc89)c7c6)c5)cc(-c5ccccc5)cc4c3c2)cc1.c1ccc(-c2ccc3sc4c(-c5ccc6c7ccc(-c8cc(-c9ccccc9)cc9c8sc8ccc(-c%10ccccc%10)cc89)cc7n(-c7cccc(-c8ccc9c(-c%10ccccc%10)c%10ccccc%10c(-c%10ccccc%10)c9c8)c7)c6c5)cc(-c5ccccc5)cc4c3c2)cc1
• InChI: InChI=1S/C92H57NS2.C78H45NS2.C72H45NS/c1-7-22-58(23-8-1)65-41-46-87-80(49-65)83-54-70(60-26-11-3-12-27-60)52-78(91(83)94-87)68-39-43-73-74-44-40-69(79-53-71(61-28-13-4-14-29-61)55-84-81-50-66(59-24-9-2-10-25-59)42-47-88(81)95-92(79)84)57-86(74)93(85(73)56-68)72-35-21-34-64(48-72)67-38-45-77-82(51-67)90(63-32-17-6-18-33-63)76-37-20-19-36-75(76)89(77)62-30-15-5-16-31-62;1-3-16-46(17-4-1)53-24-10-32-64-65-33-11-25-54(76(65)80-75(53)64)50-37-40-71-68(44-50)69-45-51-38-41-72(69)79(71)52-21-9-20-48(42-52)49-36-39-62-70(43-49)74(61-23-8-7-22-60(61)73(62)47-18-5-2-6-19-47)59-30-14-27-56-57(59)28-13-29-58(56)63-31-15-35-67-66-34-12-26-55(51)77(66)81-78(63)67;1-4-18-46(19-5-1)51-36-39-69-64(41-51)66-45-54(47-20-6-2-7-21-47)44-62(72(66)74-69)53-35-38-68-63(43-53)57-29-14-15-33-67(57)73(68)55-27-16-26-50(40-55)52-34-37-61-65(42-52)71(58-32-17-25-48-22-10-11-28-56(48)58)60-31-13-12-30-59(60)70(61)49-23-8-3-9-24-49/h1-57H;1-45H;1-45H
• InChIKey: GMBHARJSTPTDQF-UHFFFAOYSA-N
• XLogP: 70.62
• TPSA: 14.27 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 20
• Heavy Atoms: 250
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3257.19
LogP ≤ 5	70.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,7-bis(2,8-diphenyldibenzothiophen-4-yl)carbazole;3-(2,8-diphenyldibenzothiophen-4-yl)-9-[3-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)phenyl]carbazole;49-phenyl-11-(6-phenyldibenzothiophen-4-yl)-25-thia-7-azatridecacyclo[40.10.2.12,6.114,18.07,15.08,13.019,24.023,27.026,31.032,37.036,41.043,48.050,54]hexapentaconta-1(53),2(56),3,5,8(13),9,11,14,16,18(55),19(24),20,22,26(31),27,29,32,34,36,38,40,42(54),43,45,47,49,51-heptacosaene?

The IUPAC name of 9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,7-bis(2,8-diphenyldibenzothiophen-4-yl)carbazole;3-(2,8-diphenyldibenzothiophen-4-yl)-9-[3-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)phenyl]carbazole;49-phenyl-11-(6-phenyldibenzothiophen-4-yl)-25-thia-7-azatridecacyclo[40.10.2.12,6.114,18.07,15.08,13.019,24.023,27.026,31.032,37.036,41.043,48.050,54]hexapentaconta-1(53),2(56),3,5,8(13),9,11,14,16,18(55),19(24),20,22,26(31),27,29,32,34,36,38,40,42(54),43,45,47,49,51-heptacosaene (CID 158297236) is 9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,7-bis(2,8-diphenyldibenzothiophen-4-yl)carbazole;3-(2,8-diphenyldibenzothiophen-4-yl)-9-[3-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)phenyl]carbazole;49-phenyl-11-(6-phenyldibenzothiophen-4-yl)-25-thia-7-azatridecacyclo[40.10.2.12,6.114,18.07,15.08,13.019,24.023,27.026,31.032,37.036,41.043,48.050,54]hexapentaconta-1(53),2(56),3,5,8(13),9,11,14,16,18(55),19(24),20,22,26(31),27,29,32,34,36,38,40,42(54),43,45,47,49,51-heptacosaene.

What is the SMILES notation for 9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,7-bis(2,8-diphenyldibenzothiophen-4-yl)carbazole;3-(2,8-diphenyldibenzothiophen-4-yl)-9-[3-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)phenyl]carbazole;49-phenyl-11-(6-phenyldibenzothiophen-4-yl)-25-thia-7-azatridecacyclo[40.10.2.12,6.114,18.07,15.08,13.019,24.023,27.026,31.032,37.036,41.043,48.050,54]hexapentaconta-1(53),2(56),3,5,8(13),9,11,14,16,18(55),19(24),20,22,26(31),27,29,32,34,36,38,40,42(54),43,45,47,49,51-heptacosaene?

The canonical SMILES for 9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,7-bis(2,8-diphenyldibenzothiophen-4-yl)carbazole;3-(2,8-diphenyldibenzothiophen-4-yl)-9-[3-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)phenyl]carbazole;49-phenyl-11-(6-phenyldibenzothiophen-4-yl)-25-thia-7-azatridecacyclo[40.10.2.12,6.114,18.07,15.08,13.019,24.023,27.026,31.032,37.036,41.043,48.050,54]hexapentaconta-1(53),2(56),3,5,8(13),9,11,14,16,18(55),19(24),20,22,26(31),27,29,32,34,36,38,40,42(54),43,45,47,49,51-heptacosaene is c1ccc(-c2c3ccccc3c3c4cc(ccc24)c2cccc(c2)n2c4ccc(-c5cccc6c5sc5c(-c7ccccc7)cccc56)cc4c4cc(ccc42)c2cccc4c5cccc(c6cccc7c6cccc73)c5sc24)cc1.c1ccc(-c2ccc3sc4c(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccc7c(-c8ccccc8)c8ccccc8c(-c8cccc9ccccc89)c7c6)c5)cc(-c5ccccc5)cc4c3c2)cc1.c1ccc(-c2ccc3sc4c(-c5ccc6c7ccc(-c8cc(-c9ccccc9)cc9c8sc8ccc(-c%10ccccc%10)cc89)cc7n(-c7cccc(-c8ccc9c(-c%10ccccc%10)c%10ccccc%10c(-c%10ccccc%10)c9c8)c7)c6c5)cc(-c5ccccc5)cc4c3c2)cc1.

What is the InChIKey of 9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,7-bis(2,8-diphenyldibenzothiophen-4-yl)carbazole;3-(2,8-diphenyldibenzothiophen-4-yl)-9-[3-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)phenyl]carbazole;49-phenyl-11-(6-phenyldibenzothiophen-4-yl)-25-thia-7-azatridecacyclo[40.10.2.12,6.114,18.07,15.08,13.019,24.023,27.026,31.032,37.036,41.043,48.050,54]hexapentaconta-1(53),2(56),3,5,8(13),9,11,14,16,18(55),19(24),20,22,26(31),27,29,32,34,36,38,40,42(54),43,45,47,49,51-heptacosaene?

The InChIKey is GMBHARJSTPTDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H57NS2.C78H45NS2.C72H45NS/c1-7-22-58(23-8-1)65-41-46-87-80(49-65)83-54-70(60-26-11-3-12-27-60)52-78(91(83)94-87)68-39-43-73-74-44-40-69(79-53-71(61-28-13-4-14-29-61)55-84-81-50-66(59-24-9-2-10-25-59)42-47-88(81)95-92(79)84)57-86(74)93(85(73)56-68)72-35-21-34-64(48-72)67-38-45-77-82(51-67)90(63-32-17-6-18-33-63)76-37-20-19-36-75(76)89(77)62-30-15-5-16-31-62;1-3-16-46(17-4-1)53-24-10-32-64-65-33-11-25-54(76(65)80-75(53)64)50-37-40-71-68(44-50)69-45-51-38-41-72(69)79(71)52-21-9-20-48(42-52)49-36-39-62-70(43-49)74(61-23-8-7-22-60(61)73(62)47-18-5-2-6-19-47)59-30-14-27-56-57(59)28-13-29-58(56)63-31-15-35-67-66-34-12-26-55(51)77(66)81-78(63)67;1-4-18-46(19-5-1)51-36-39-69-64(41-51)66-45-54(47-20-6-2-7-21-47)44-62(72(66)74-69)53-35-38-68-63(43-53)57-29-14-15-33-67(57)73(68)55-27-16-26-50(40-55)52-34-37-61-65(42-52)71(58-32-17-25-48-22-10-11-28-56(48)58)60-31-13-12-30-59(60)70(61)49-23-8-3-9-24-49/h1-57H;1-45H;1-45H.

What are the key properties of 9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,7-bis(2,8-diphenyldibenzothiophen-4-yl)carbazole;3-(2,8-diphenyldibenzothiophen-4-yl)-9-[3-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)phenyl]carbazole;49-phenyl-11-(6-phenyldibenzothiophen-4-yl)-25-thia-7-azatridecacyclo[40.10.2.12,6.114,18.07,15.08,13.019,24.023,27.026,31.032,37.036,41.043,48.050,54]hexapentaconta-1(53),2(56),3,5,8(13),9,11,14,16,18(55),19(24),20,22,26(31),27,29,32,34,36,38,40,42(54),43,45,47,49,51-heptacosaene?

9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,7-bis(2,8-diphenyldibenzothiophen-4-yl)carbazole;3-(2,8-diphenyldibenzothiophen-4-yl)-9-[3-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)phenyl]carbazole;49-phenyl-11-(6-phenyldibenzothiophen-4-yl)-25-thia-7-azatridecacyclo[40.10.2.12,6.114,18.07,15.08,13.019,24.023,27.026,31.032,37.036,41.043,48.050,54]hexapentaconta-1(53),2(56),3,5,8(13),9,11,14,16,18(55),19(24),20,22,26(31),27,29,32,34,36,38,40,42(54),43,45,47,49,51-heptacosaene has a molecular weight of 3257.19 g/mol, XLogP of 70.62, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,7-bis(2,8-diphenyldibenzothiophen-4-yl)carbazole;3-(2,8-diphenyldibenzothiophen-4-yl)-9-[3-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)phenyl]carbazole;49-phenyl-11-(6-phenyldibenzothiophen-4-yl)-25-thia-7-azatridecacyclo[40.10.2.12,6.114,18.07,15.08,13.019,24.023,27.026,31.032,37.036,41.043,48.050,54]hexapentaconta-1(53),2(56),3,5,8(13),9,11,14,16,18(55),19(24),20,22,26(31),27,29,32,34,36,38,40,42(54),43,45,47,49,51-heptacosaene is sourced from PubChem (CID 158297236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).