8-[3-methyl-2-[1-methyl-3-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-[1]benzofuro[2,3-e]indol-2-yl]-1-phenylindol-6-yl]-15-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-24-phenyl-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),18,20,22,26-dodecaene

C88H50N8O4 — CID 139539295

About 8-[3-methyl-2-[1-methyl-3-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-[1]benzofuro[2,3-e]indol-2-yl]-1-phenylindol-6-yl]-15-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-24-phenyl-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),18,20,22,26-dodecaene

8-[3-methyl-2-[1-methyl-3-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-[1]benzofuro[2,3-e]indol-2-yl]-1-phenylindol-6-yl]-15-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-24-phenyl-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),18,20,22,26-dodecaene (PubChem CID 139539295) has the molecular formula C88H50N8O4 and a molecular weight of 1283.42 g/mol. Its IUPAC name is 8-[3-methyl-2-[1-methyl-3-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-[1]benzofuro[2,3-e]indol-2-yl]-1-phenylindol-6-yl]-15-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-24-phenyl-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),18,20,22,26-dodecaene.

Molecular Properties

• Compound Name: 8-[3-methyl-2-[1-methyl-3-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-[1]benzofuro[2,3-e]indol-2-yl]-1-phenylindol-6-yl]-15-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-24-phenyl-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),18,20,22,26-dodecaene
• PubChem CID: 139539295
• Molecular Formula: C88H50N8O4
• Molecular Weight: 1283.42 g/mol
• Exact Mass: 1282.40
• IUPAC Name: 8-[3-methyl-2-[1-methyl-3-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-[1]benzofuro[2,3-e]indol-2-yl]-1-phenylindol-6-yl]-15-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-24-phenyl-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),18,20,22,26-dodecaene
• SMILES: Cc1c(-c2c(C)c3c4oc5ccccc5c4ccc3n2-c2nc3c4c(cccc4n2)Oc2ccccc2-3)n(-c2ccccc2)c2cc(-c3cccc4c3oc3ccc5c(c6ccc7c(c8ccccc8n7-c7ccccc7)c6n5-c5nc6c7c(cccc7n5)Oc5ccccc5-6)c34)ccc12
• InChI: InChI=1S/C88H50N8O4/c1-47-52-39-38-49(46-67(52)94(51-22-7-4-8-23-51)82(47)83-48(2)74-64(42-40-55-54-24-10-14-33-68(54)99-86(55)74)95(83)87-89-61-30-18-36-71-78(61)80(91-87)57-26-11-15-34-69(57)97-71)53-28-17-29-60-77-73(100-85(53)60)45-44-65-75(77)59-41-43-66-76(56-25-9-13-32-63(56)93(66)50-20-5-3-6-21-50)84(59)96(65)88-90-62-31-19-37-72-79(62)81(92-88)58-27-12-16-35-70(58)98-72/h3-46H,1-2H3
• InChIKey: SLDWDIOJCSYBDJ-UHFFFAOYSA-N
• XLogP: 22.95
• TPSA: 116.02 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1283.42
LogP ≤ 5	22.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 8-[3-methyl-2-[1-methyl-3-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-[1]benzofuro[2,3-e]indol-2-yl]-1-phenylindol-6-yl]-15-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-24-phenyl-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),18,20,22,26-dodecaene?

The IUPAC name of 8-[3-methyl-2-[1-methyl-3-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-[1]benzofuro[2,3-e]indol-2-yl]-1-phenylindol-6-yl]-15-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-24-phenyl-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),18,20,22,26-dodecaene (CID 139539295) is 8-[3-methyl-2-[1-methyl-3-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-[1]benzofuro[2,3-e]indol-2-yl]-1-phenylindol-6-yl]-15-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-24-phenyl-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),18,20,22,26-dodecaene.

What is the SMILES notation for 8-[3-methyl-2-[1-methyl-3-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-[1]benzofuro[2,3-e]indol-2-yl]-1-phenylindol-6-yl]-15-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-24-phenyl-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),18,20,22,26-dodecaene?

The canonical SMILES for 8-[3-methyl-2-[1-methyl-3-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-[1]benzofuro[2,3-e]indol-2-yl]-1-phenylindol-6-yl]-15-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-24-phenyl-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),18,20,22,26-dodecaene is Cc1c(-c2c(C)c3c4oc5ccccc5c4ccc3n2-c2nc3c4c(cccc4n2)Oc2ccccc2-3)n(-c2ccccc2)c2cc(-c3cccc4c3oc3ccc5c(c6ccc7c(c8ccccc8n7-c7ccccc7)c6n5-c5nc6c7c(cccc7n5)Oc5ccccc5-6)c34)ccc12.

What is the InChIKey of 8-[3-methyl-2-[1-methyl-3-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-[1]benzofuro[2,3-e]indol-2-yl]-1-phenylindol-6-yl]-15-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-24-phenyl-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),18,20,22,26-dodecaene?

The InChIKey is SLDWDIOJCSYBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H50N8O4/c1-47-52-39-38-49(46-67(52)94(51-22-7-4-8-23-51)82(47)83-48(2)74-64(42-40-55-54-24-10-14-33-68(54)99-86(55)74)95(83)87-89-61-30-18-36-71-78(61)80(91-87)57-26-11-15-34-69(57)97-71)53-28-17-29-60-77-73(100-85(53)60)45-44-65-75(77)59-41-43-66-76(56-25-9-13-32-63(56)93(66)50-20-5-3-6-21-50)84(59)96(65)88-90-62-31-19-37-72-79(62)81(92-88)58-27-12-16-35-70(58)98-72/h3-46H,1-2H3.

What are the key properties of 8-[3-methyl-2-[1-methyl-3-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-[1]benzofuro[2,3-e]indol-2-yl]-1-phenylindol-6-yl]-15-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-24-phenyl-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),18,20,22,26-dodecaene?

8-[3-methyl-2-[1-methyl-3-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-[1]benzofuro[2,3-e]indol-2-yl]-1-phenylindol-6-yl]-15-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-24-phenyl-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),18,20,22,26-dodecaene has a molecular weight of 1283.42 g/mol, XLogP of 22.95, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[3-methyl-2-[1-methyl-3-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-[1]benzofuro[2,3-e]indol-2-yl]-1-phenylindol-6-yl]-15-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-24-phenyl-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),18,20,22,26-dodecaene is sourced from PubChem (CID 139539295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).