2-([1]benzofuro[3,2-a]carbazol-12-yl)-9-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(5-phenyl-[1]benzofuro[3,2-c]carbazol-9-yl)-[1]benzofuro[3,2-c]carbazole;2-([1]benzofuro[3,2-a]carbazol-12-yl)-9-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)-[1]benzofuro[3,2-c]carbazole;5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14,16,18-nonaen-11-yl]-[1]benzofuro[3,2-c]carbazole

C204H107N9O12S — CID 159500060

About 2-([1]benzofuro[3,2-a]carbazol-12-yl)-9-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(5-phenyl-[1]benzofuro[3,2-c]carbazol-9-yl)-[1]benzofuro[3,2-c]carbazole;2-([1]benzofuro[3,2-a]carbazol-12-yl)-9-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)-[1]benzofuro[3,2-c]carbazole;5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14,16,18-nonaen-11-yl]-[1]benzofuro[3,2-c]carbazole

2-([1]benzofuro[3,2-a]carbazol-12-yl)-9-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(5-phenyl-[1]benzofuro[3,2-c]carbazol-9-yl)-[1]benzofuro[3,2-c]carbazole;2-([1]benzofuro[3,2-a]carbazol-12-yl)-9-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)-[1]benzofuro[3,2-c]carbazole;5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14,16,18-nonaen-11-yl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 159500060) has the molecular formula C204H107N9O12S and a molecular weight of 2908.22 g/mol. Its IUPAC name is 2-([1]benzofuro[3,2-a]carbazol-12-yl)-9-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(5-phenyl-[1]benzofuro[3,2-c]carbazol-9-yl)-[1]benzofuro[3,2-c]carbazole;2-([1]benzofuro[3,2-a]carbazol-12-yl)-9-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)-[1]benzofuro[3,2-c]carbazole;5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14,16,18-nonaen-11-yl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

• Compound Name: 2-([1]benzofuro[3,2-a]carbazol-12-yl)-9-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(5-phenyl-[1]benzofuro[3,2-c]carbazol-9-yl)-[1]benzofuro[3,2-c]carbazole;2-([1]benzofuro[3,2-a]carbazol-12-yl)-9-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)-[1]benzofuro[3,2-c]carbazole;5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14,16,18-nonaen-11-yl]-[1]benzofuro[3,2-c]carbazole
• PubChem CID: 159500060
• Molecular Formula: C204H107N9O12S
• Molecular Weight: 2908.22 g/mol
• Exact Mass: 2905.78
• IUPAC Name: 2-([1]benzofuro[3,2-a]carbazol-12-yl)-9-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(5-phenyl-[1]benzofuro[3,2-c]carbazol-9-yl)-[1]benzofuro[3,2-c]carbazole;2-([1]benzofuro[3,2-a]carbazol-12-yl)-9-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)-[1]benzofuro[3,2-c]carbazole;5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14,16,18-nonaen-11-yl]-[1]benzofuro[3,2-c]carbazole
• SMILES: c1ccc(-n2c3ccccc3c3c4oc5ccc(-n6c7ccc(-n8c9ccccc9c9ccc%10oc%11ccccc%11c%10c98)cc7c7c8oc9ccc(-n%10c%11ccccc%11c%11c%12oc%13ccccc%13c%12ccc%11%10)cc9c8ccc76)cc5c4ccc32)cc1.c1ccc2c(c1)oc1c2cc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c2oc3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3c21.c1ccc2c(c1)oc1ccc3c4cc(-n5c6ccc(-n7c8ccccc8c8ccc9oc%10ccccc%10c9c87)cc6c6c7oc8ccc(-n9c%10ccccc%10c%10c%11sc%12ccccc%12c%11ccc%109)cc8c7ccc65)ccc4oc3c12
• InChI: InChI=1S/C78H42N4O4.C72H37N3O4S.C54H28N2O4/c1-2-14-43(15-3-1)79-60-22-10-5-18-53(60)71-63(79)35-30-51-56-41-45(28-38-68(56)85-77(51)71)81-62-33-26-46(82-59-21-9-4-16-47(59)49-32-39-70-74(75(49)82)55-20-8-13-25-67(55)83-70)42-58(62)73-65(81)36-31-52-57-40-44(27-37-69(57)86-78(52)73)80-61-23-11-6-19-54(61)72-64(80)34-29-50-48-17-7-12-24-66(48)84-76(50)72;1-6-16-53-41(11-1)43-26-33-62-67(48-14-3-8-18-58(48)76-62)69(43)75(53)40-21-28-55-52(37-40)65-56(74(55)39-23-32-61-51(36-39)45-27-34-63-68(71(45)79-61)49-15-4-9-19-59(49)77-63)29-24-44-50-35-38(22-31-60(50)78-70(44)65)73-54-17-7-2-13-47(54)66-57(73)30-25-46-42-12-5-10-20-64(42)80-72(46)66;1-6-16-39-35(14-1)48-41(24-22-33-30-11-3-8-18-44(30)57-51(33)48)55(39)29-21-26-47-38(27-29)50-53-37(32-13-5-10-20-46(32)59-53)28-43(54(50)60-47)56-40-17-7-2-15-36(40)49-42(56)25-23-34-31-12-4-9-19-45(31)58-52(34)49/h1-42H;1-37H;1-28H
• InChIKey: LZGSNPYWUPLMEX-UHFFFAOYSA-N
• XLogP: 58.09
• TPSA: 202.05 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 9
• Heavy Atoms: 226
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2908.22
LogP ≤ 5	58.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 2-([1]benzofuro[3,2-a]carbazol-12-yl)-9-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(5-phenyl-[1]benzofuro[3,2-c]carbazol-9-yl)-[1]benzofuro[3,2-c]carbazole;2-([1]benzofuro[3,2-a]carbazol-12-yl)-9-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)-[1]benzofuro[3,2-c]carbazole;5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14,16,18-nonaen-11-yl]-[1]benzofuro[3,2-c]carbazole?

The IUPAC name of 2-([1]benzofuro[3,2-a]carbazol-12-yl)-9-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(5-phenyl-[1]benzofuro[3,2-c]carbazol-9-yl)-[1]benzofuro[3,2-c]carbazole;2-([1]benzofuro[3,2-a]carbazol-12-yl)-9-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)-[1]benzofuro[3,2-c]carbazole;5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14,16,18-nonaen-11-yl]-[1]benzofuro[3,2-c]carbazole (CID 159500060) is 2-([1]benzofuro[3,2-a]carbazol-12-yl)-9-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(5-phenyl-[1]benzofuro[3,2-c]carbazol-9-yl)-[1]benzofuro[3,2-c]carbazole;2-([1]benzofuro[3,2-a]carbazol-12-yl)-9-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)-[1]benzofuro[3,2-c]carbazole;5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14,16,18-nonaen-11-yl]-[1]benzofuro[3,2-c]carbazole.

What is the SMILES notation for 2-([1]benzofuro[3,2-a]carbazol-12-yl)-9-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(5-phenyl-[1]benzofuro[3,2-c]carbazol-9-yl)-[1]benzofuro[3,2-c]carbazole;2-([1]benzofuro[3,2-a]carbazol-12-yl)-9-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)-[1]benzofuro[3,2-c]carbazole;5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14,16,18-nonaen-11-yl]-[1]benzofuro[3,2-c]carbazole?

The canonical SMILES for 2-([1]benzofuro[3,2-a]carbazol-12-yl)-9-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(5-phenyl-[1]benzofuro[3,2-c]carbazol-9-yl)-[1]benzofuro[3,2-c]carbazole;2-([1]benzofuro[3,2-a]carbazol-12-yl)-9-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)-[1]benzofuro[3,2-c]carbazole;5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14,16,18-nonaen-11-yl]-[1]benzofuro[3,2-c]carbazole is c1ccc(-n2c3ccccc3c3c4oc5ccc(-n6c7ccc(-n8c9ccccc9c9ccc%10oc%11ccccc%11c%10c98)cc7c7c8oc9ccc(-n%10c%11ccccc%11c%11c%12oc%13ccccc%13c%12ccc%11%10)cc9c8ccc76)cc5c4ccc32)cc1.c1ccc2c(c1)oc1c2cc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c2oc3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3c21.c1ccc2c(c1)oc1ccc3c4cc(-n5c6ccc(-n7c8ccccc8c8ccc9oc%10ccccc%10c9c87)cc6c6c7oc8ccc(-n9c%10ccccc%10c%10c%11sc%12ccccc%12c%11ccc%109)cc8c7ccc65)ccc4oc3c12.

What is the InChIKey of 2-([1]benzofuro[3,2-a]carbazol-12-yl)-9-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(5-phenyl-[1]benzofuro[3,2-c]carbazol-9-yl)-[1]benzofuro[3,2-c]carbazole;2-([1]benzofuro[3,2-a]carbazol-12-yl)-9-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)-[1]benzofuro[3,2-c]carbazole;5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14,16,18-nonaen-11-yl]-[1]benzofuro[3,2-c]carbazole?

The InChIKey is LZGSNPYWUPLMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H42N4O4.C72H37N3O4S.C54H28N2O4/c1-2-14-43(15-3-1)79-60-22-10-5-18-53(60)71-63(79)35-30-51-56-41-45(28-38-68(56)85-77(51)71)81-62-33-26-46(82-59-21-9-4-16-47(59)49-32-39-70-74(75(49)82)55-20-8-13-25-67(55)83-70)42-58(62)73-65(81)36-31-52-57-40-44(27-37-69(57)86-78(52)73)80-61-23-11-6-19-54(61)72-64(80)34-29-50-48-17-7-12-24-66(48)84-76(50)72;1-6-16-53-41(11-1)43-26-33-62-67(48-14-3-8-18-58(48)76-62)69(43)75(53)40-21-28-55-52(37-40)65-56(74(55)39-23-32-61-51(36-39)45-27-34-63-68(71(45)79-61)49-15-4-9-19-59(49)77-63)29-24-44-50-35-38(22-31-60(50)78-70(44)65)73-54-17-7-2-13-47(54)66-57(73)30-25-46-42-12-5-10-20-64(42)80-72(46)66;1-6-16-39-35(14-1)48-41(24-22-33-30-11-3-8-18-44(30)57-51(33)48)55(39)29-21-26-47-38(27-29)50-53-37(32-13-5-10-20-46(32)59-53)28-43(54(50)60-47)56-40-17-7-2-15-36(40)49-42(56)25-23-34-31-12-4-9-19-45(31)58-52(34)49/h1-42H;1-37H;1-28H.

What are the key properties of 2-([1]benzofuro[3,2-a]carbazol-12-yl)-9-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(5-phenyl-[1]benzofuro[3,2-c]carbazol-9-yl)-[1]benzofuro[3,2-c]carbazole;2-([1]benzofuro[3,2-a]carbazol-12-yl)-9-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)-[1]benzofuro[3,2-c]carbazole;5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14,16,18-nonaen-11-yl]-[1]benzofuro[3,2-c]carbazole?

2-([1]benzofuro[3,2-a]carbazol-12-yl)-9-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(5-phenyl-[1]benzofuro[3,2-c]carbazol-9-yl)-[1]benzofuro[3,2-c]carbazole;2-([1]benzofuro[3,2-a]carbazol-12-yl)-9-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)-[1]benzofuro[3,2-c]carbazole;5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14,16,18-nonaen-11-yl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 2908.22 g/mol, XLogP of 58.09, 9 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-([1]benzofuro[3,2-a]carbazol-12-yl)-9-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(5-phenyl-[1]benzofuro[3,2-c]carbazol-9-yl)-[1]benzofuro[3,2-c]carbazole;2-([1]benzofuro[3,2-a]carbazol-12-yl)-9-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)-[1]benzofuro[3,2-c]carbazole;5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14,16,18-nonaen-11-yl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 159500060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).