11-phenyl-8-(14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3-[14-phenyl-17-(11-phenyl-[1]benzofuro[3,2-b]carbazol-8-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-11-yl]-[1]benzofuro[3,2-b]carbazole

C96H54N4O3S — CID 134223481

About 11-phenyl-8-(14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3-[14-phenyl-17-(11-phenyl-[1]benzofuro[3,2-b]carbazol-8-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-11-yl]-[1]benzofuro[3,2-b]carbazole

11-phenyl-8-(14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3-[14-phenyl-17-(11-phenyl-[1]benzofuro[3,2-b]carbazol-8-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-11-yl]-[1]benzofuro[3,2-b]carbazole (PubChem CID 134223481) has the molecular formula C96H54N4O3S and a molecular weight of 1343.58 g/mol. Its IUPAC name is 11-phenyl-8-(14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3-[14-phenyl-17-(11-phenyl-[1]benzofuro[3,2-b]carbazol-8-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-11-yl]-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

• Compound Name: 11-phenyl-8-(14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3-[14-phenyl-17-(11-phenyl-[1]benzofuro[3,2-b]carbazol-8-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-11-yl]-[1]benzofuro[3,2-b]carbazole
• PubChem CID: 134223481
• Molecular Formula: C96H54N4O3S
• Molecular Weight: 1343.58 g/mol
• Exact Mass: 1342.39
• IUPAC Name: 11-phenyl-8-(14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3-[14-phenyl-17-(11-phenyl-[1]benzofuro[3,2-b]carbazol-8-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-11-yl]-[1]benzofuro[3,2-b]carbazole
• SMILES: c1ccc(-n2c3ccc(-c4ccc5c6c7c(sc8ccccc87)c(-c7ccc8c(c7)oc7cc9c%10cc(-c%11ccc%12c%13c%14c(ccc%13n(-c%13ccccc%13)c%12c%11)oc%11ccccc%11%14)ccc%10n(-c%10ccccc%10)c9cc78)cc6n(-c6ccccc6)c5c4)cc3c3cc4oc5ccccc5c4cc32)cc1
• InChI: InChI=1S/C96H54N4O3S/c1-5-19-60(20-6-1)97-77-42-37-56(46-71(77)73-53-89-75(51-82(73)97)64-27-13-16-30-85(64)102-89)58-34-40-67-81(48-58)100(63-25-11-4-12-26-63)84-50-70(96-95(93(67)84)69-29-15-18-32-91(69)104-96)59-35-38-65-76-52-83-74(54-90(76)103-88(65)49-59)72-45-55(36-41-78(72)98(83)61-21-7-2-8-22-61)57-33-39-66-80(47-57)99(62-23-9-3-10-24-62)79-43-44-87-94(92(66)79)68-28-14-17-31-86(68)101-87/h1-54H
• InChIKey: XHJZDZHWFSZAPH-UHFFFAOYSA-N
• XLogP: 27.14
• TPSA: 59.14 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1343.58
LogP ≤ 5	27.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 11-phenyl-8-(14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3-[14-phenyl-17-(11-phenyl-[1]benzofuro[3,2-b]carbazol-8-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-11-yl]-[1]benzofuro[3,2-b]carbazole?

The IUPAC name of 11-phenyl-8-(14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3-[14-phenyl-17-(11-phenyl-[1]benzofuro[3,2-b]carbazol-8-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-11-yl]-[1]benzofuro[3,2-b]carbazole (CID 134223481) is 11-phenyl-8-(14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3-[14-phenyl-17-(11-phenyl-[1]benzofuro[3,2-b]carbazol-8-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-11-yl]-[1]benzofuro[3,2-b]carbazole.

What is the SMILES notation for 11-phenyl-8-(14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3-[14-phenyl-17-(11-phenyl-[1]benzofuro[3,2-b]carbazol-8-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-11-yl]-[1]benzofuro[3,2-b]carbazole?

The canonical SMILES for 11-phenyl-8-(14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3-[14-phenyl-17-(11-phenyl-[1]benzofuro[3,2-b]carbazol-8-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-11-yl]-[1]benzofuro[3,2-b]carbazole is c1ccc(-n2c3ccc(-c4ccc5c6c7c(sc8ccccc87)c(-c7ccc8c(c7)oc7cc9c%10cc(-c%11ccc%12c%13c%14c(ccc%13n(-c%13ccccc%13)c%12c%11)oc%11ccccc%11%14)ccc%10n(-c%10ccccc%10)c9cc78)cc6n(-c6ccccc6)c5c4)cc3c3cc4oc5ccccc5c4cc32)cc1.

What is the InChIKey of 11-phenyl-8-(14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3-[14-phenyl-17-(11-phenyl-[1]benzofuro[3,2-b]carbazol-8-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-11-yl]-[1]benzofuro[3,2-b]carbazole?

The InChIKey is XHJZDZHWFSZAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H54N4O3S/c1-5-19-60(20-6-1)97-77-42-37-56(46-71(77)73-53-89-75(51-82(73)97)64-27-13-16-30-85(64)102-89)58-34-40-67-81(48-58)100(63-25-11-4-12-26-63)84-50-70(96-95(93(67)84)69-29-15-18-32-91(69)104-96)59-35-38-65-76-52-83-74(54-90(76)103-88(65)49-59)72-45-55(36-41-78(72)98(83)61-21-7-2-8-22-61)57-33-39-66-80(47-57)99(62-23-9-3-10-24-62)79-43-44-87-94(92(66)79)68-28-14-17-31-86(68)101-87/h1-54H.

What are the key properties of 11-phenyl-8-(14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3-[14-phenyl-17-(11-phenyl-[1]benzofuro[3,2-b]carbazol-8-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-11-yl]-[1]benzofuro[3,2-b]carbazole?

11-phenyl-8-(14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3-[14-phenyl-17-(11-phenyl-[1]benzofuro[3,2-b]carbazol-8-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-11-yl]-[1]benzofuro[3,2-b]carbazole has a molecular weight of 1343.58 g/mol, XLogP of 27.14, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 11-phenyl-8-(14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3-[14-phenyl-17-(11-phenyl-[1]benzofuro[3,2-b]carbazol-8-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-11-yl]-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 134223481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).