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-18-yl)-2-[14-phenyl-18-(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-12-yl]-[1]benzofuro[3,2-b]carbazole

C96H54N4O3S — CID 134223489

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-18-yl)-2-[14-phenyl-18-(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-12-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-18-yl)-2-[14-phenyl-18-(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-12-yl]-[1]benzofuro[3,2-b]carbazole (PubChem CID 134223489) 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-18-yl)-2-[14-phenyl-18-(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-12-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-18-yl)-2-[14-phenyl-18-(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-12-yl]-[1]benzofuro[3,2-b]carbazole
• PubChem CID: 134223489
• 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-18-yl)-2-[14-phenyl-18-(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-12-yl]-[1]benzofuro[3,2-b]carbazole
• SMILES: c1ccc(-n2c3ccc(-c4ccc5c(c4)c4c6c(cc(-c7ccc8oc9cc%10c%11cc(-c%12ccc%13c(c%12)c%12c%14c(ccc%12n%13-c%12ccccc%12)oc%12ccccc%12%14)ccc%11n(-c%11ccccc%11)c%10cc9c8c7)c4n5-c4ccccc4)sc4ccccc46)cc3c3cc4oc5ccccc5c4cc32)cc1
• InChI: InChI=1S/C96H54N4O3S/c1-5-19-60(20-6-1)97-79-40-35-57(47-75(79)92-81(97)42-44-87-93(92)65-28-14-17-31-85(65)101-87)55-33-38-78-69(45-55)71-53-89-74(51-83(71)99(78)62-23-9-3-10-24-62)72-49-59(37-43-86(72)103-89)67-54-91-94(66-29-15-18-32-90(66)104-91)95-76-48-58(36-41-80(76)100(96(67)95)63-25-11-4-12-26-63)56-34-39-77-68(46-56)70-52-88-73(64-27-13-16-30-84(64)102-88)50-82(70)98(77)61-21-7-2-8-22-61/h1-54H
• InChIKey: KQPJERZWSZYCNP-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-18-yl)-2-[14-phenyl-18-(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-12-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-18-yl)-2-[14-phenyl-18-(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-12-yl]-[1]benzofuro[3,2-b]carbazole (CID 134223489) 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-18-yl)-2-[14-phenyl-18-(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-12-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-18-yl)-2-[14-phenyl-18-(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-12-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-18-yl)-2-[14-phenyl-18-(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-12-yl]-[1]benzofuro[3,2-b]carbazole is c1ccc(-n2c3ccc(-c4ccc5c(c4)c4c6c(cc(-c7ccc8oc9cc%10c%11cc(-c%12ccc%13c(c%12)c%12c%14c(ccc%12n%13-c%12ccccc%12)oc%12ccccc%12%14)ccc%11n(-c%11ccccc%11)c%10cc9c8c7)c4n5-c4ccccc4)sc4ccccc46)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-18-yl)-2-[14-phenyl-18-(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-12-yl]-[1]benzofuro[3,2-b]carbazole?

The InChIKey is KQPJERZWSZYCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H54N4O3S/c1-5-19-60(20-6-1)97-79-40-35-57(47-75(79)92-81(97)42-44-87-93(92)65-28-14-17-31-85(65)101-87)55-33-38-78-69(45-55)71-53-89-74(51-83(71)99(78)62-23-9-3-10-24-62)72-49-59(37-43-86(72)103-89)67-54-91-94(66-29-15-18-32-90(66)104-91)95-76-48-58(36-41-80(76)100(96(67)95)63-25-11-4-12-26-63)56-34-39-77-68(46-56)70-52-88-73(64-27-13-16-30-84(64)102-88)50-82(70)98(77)61-21-7-2-8-22-61/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-18-yl)-2-[14-phenyl-18-(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-12-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-18-yl)-2-[14-phenyl-18-(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-12-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-18-yl)-2-[14-phenyl-18-(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-12-yl]-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 134223489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).