7-phenyl-10-(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)-4-[14-phenyl-17-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-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[2,3-b]carbazole

C96H54N4O3S — CID 134223690

About 7-phenyl-10-(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)-4-[14-phenyl-17-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-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[2,3-b]carbazole

7-phenyl-10-(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)-4-[14-phenyl-17-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-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[2,3-b]carbazole (PubChem CID 134223690) has the molecular formula C96H54N4O3S and a molecular weight of 1343.58 g/mol. Its IUPAC name is 7-phenyl-10-(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)-4-[14-phenyl-17-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-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[2,3-b]carbazole.

Molecular Properties

• Compound Name: 7-phenyl-10-(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)-4-[14-phenyl-17-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-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[2,3-b]carbazole
• PubChem CID: 134223690
• Molecular Formula: C96H54N4O3S
• Molecular Weight: 1343.58 g/mol
• Exact Mass: 1342.39
• IUPAC Name: 7-phenyl-10-(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)-4-[14-phenyl-17-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-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[2,3-b]carbazole
• SMILES: c1ccc(-n2c3ccc(-c4ccc5c6c7c(sc8ccccc87)c(-c7cccc8c7oc7cc9c(cc78)c7cc(-c8ccc%10c%11c%12c(ccc%11n(-c%11ccccc%11)c%10c8)oc8ccccc8%12)ccc7n9-c7ccccc7)cc6n(-c6ccccc6)c5c4)cc3c3cc4c(cc32)oc2ccccc24)cc1
• InChI: InChI=1S/C96H54N4O3S/c1-5-20-59(21-6-1)97-77-42-39-56(46-70(77)72-50-74-63-28-13-16-33-85(63)102-88(74)53-82(72)97)58-37-41-67-81(49-58)100(62-26-11-4-12-27-62)84-52-76(96-94(92(67)84)69-30-15-18-35-90(69)104-96)65-32-19-31-64-75-51-73-71-47-55(38-43-78(71)98(60-22-7-2-8-23-60)83(73)54-89(75)103-95(64)65)57-36-40-66-80(48-57)99(61-24-9-3-10-25-61)79-44-45-87-93(91(66)79)68-29-14-17-34-86(68)101-87/h1-54H
• InChIKey: HBPHQOSQDPOTKR-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 7-phenyl-10-(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)-4-[14-phenyl-17-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-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[2,3-b]carbazole?

The IUPAC name of 7-phenyl-10-(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)-4-[14-phenyl-17-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-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[2,3-b]carbazole (CID 134223690) is 7-phenyl-10-(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)-4-[14-phenyl-17-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-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[2,3-b]carbazole.

What is the SMILES notation for 7-phenyl-10-(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)-4-[14-phenyl-17-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-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[2,3-b]carbazole?

The canonical SMILES for 7-phenyl-10-(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)-4-[14-phenyl-17-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-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[2,3-b]carbazole is c1ccc(-n2c3ccc(-c4ccc5c6c7c(sc8ccccc87)c(-c7cccc8c7oc7cc9c(cc78)c7cc(-c8ccc%10c%11c%12c(ccc%11n(-c%11ccccc%11)c%10c8)oc8ccccc8%12)ccc7n9-c7ccccc7)cc6n(-c6ccccc6)c5c4)cc3c3cc4c(cc32)oc2ccccc24)cc1.

What is the InChIKey of 7-phenyl-10-(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)-4-[14-phenyl-17-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-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[2,3-b]carbazole?

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

What are the key properties of 7-phenyl-10-(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)-4-[14-phenyl-17-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-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[2,3-b]carbazole?

7-phenyl-10-(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)-4-[14-phenyl-17-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-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[2,3-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 7-phenyl-10-(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)-4-[14-phenyl-17-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-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[2,3-b]carbazole is sourced from PubChem (CID 134223690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).