12-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-5,13-diphenylindolo[2,3-a]phenazine;8-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-5-phenylindolo[2,3-c]phenoxazine;10-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-14-phenyl-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

C132H80B3N7O8 — CID 159312731

About 12-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-5,13-diphenylindolo[2,3-a]phenazine;8-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-5-phenylindolo[2,3-c]phenoxazine;10-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-14-phenyl-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

12-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-5,13-diphenylindolo[2,3-a]phenazine;8-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-5-phenylindolo[2,3-c]phenoxazine;10-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-14-phenyl-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (PubChem CID 159312731) has the molecular formula C132H80B3N7O8 and a molecular weight of 1924.57 g/mol. Its IUPAC name is 12-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-5,13-diphenylindolo[2,3-a]phenazine;8-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-5-phenylindolo[2,3-c]phenoxazine;10-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-14-phenyl-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 12-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-5,13-diphenylindolo[2,3-a]phenazine;8-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-5-phenylindolo[2,3-c]phenoxazine;10-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-14-phenyl-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
• PubChem CID: 159312731
• Molecular Formula: C132H80B3N7O8
• Molecular Weight: 1924.57 g/mol
• Exact Mass: 1923.63
• IUPAC Name: 12-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-5,13-diphenylindolo[2,3-a]phenazine;8-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-5-phenylindolo[2,3-c]phenoxazine;10-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-14-phenyl-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
• SMILES: c1ccc(N2c3ccccc3N(c3ccccc3)c3c2ccc2c4ccccc4n(-c4cc5c6c(c4)Oc4ccccc4B6c4ccccc4O5)c32)cc1.c1ccc(N2c3ccccc3Oc3c2ccc2c3c3ccccc3n2-c2cc3c4c(c2)Oc2ccccc2B4c2ccccc2O3)cc1.c1ccc(N2c3ccccc3Oc3cc4c5ccccc5n(-c5cc6c7c(c5)Oc5ccccc5B7c5ccccc5O6)c4cc32)cc1
• InChI: InChI=1S/C48H30BN3O2.2C42H25BN2O3/c1-3-15-31(16-4-1)50-39-23-11-12-24-40(39)51(32-17-5-2-6-18-32)48-41(50)28-27-35-34-19-7-10-22-38(34)52(47(35)48)33-29-44-46-45(30-33)54-43-26-14-9-21-37(43)49(46)36-20-8-13-25-42(36)53-44;1-2-12-26(13-3-1)44-33-18-8-11-21-38(33)48-39-24-29-28-14-4-7-17-32(28)45(34(29)25-35(39)44)27-22-40-42-41(23-27)47-37-20-10-6-16-31(37)43(42)30-15-5-9-19-36(30)46-40;1-2-12-26(13-3-1)44-32-18-8-11-21-37(32)48-42-34(44)23-22-33-40(42)28-14-4-7-17-31(28)45(33)27-24-38-41-39(25-27)47-36-20-10-6-16-30(36)43(41)29-15-5-9-19-35(29)46-38/h1-30H;2*1-25H
• InChIKey: LCTGBOCZNPGOHW-UHFFFAOYSA-N
• XLogP: 28.94
• TPSA: 101.59 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1924.57
LogP ≤ 5	28.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 12-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-5,13-diphenylindolo[2,3-a]phenazine;8-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-5-phenylindolo[2,3-c]phenoxazine;10-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-14-phenyl-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

The IUPAC name of 12-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-5,13-diphenylindolo[2,3-a]phenazine;8-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-5-phenylindolo[2,3-c]phenoxazine;10-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-14-phenyl-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (CID 159312731) is 12-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-5,13-diphenylindolo[2,3-a]phenazine;8-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-5-phenylindolo[2,3-c]phenoxazine;10-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-14-phenyl-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene.

What is the SMILES notation for 12-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-5,13-diphenylindolo[2,3-a]phenazine;8-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-5-phenylindolo[2,3-c]phenoxazine;10-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-14-phenyl-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

The canonical SMILES for 12-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-5,13-diphenylindolo[2,3-a]phenazine;8-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-5-phenylindolo[2,3-c]phenoxazine;10-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-14-phenyl-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is c1ccc(N2c3ccccc3N(c3ccccc3)c3c2ccc2c4ccccc4n(-c4cc5c6c(c4)Oc4ccccc4B6c4ccccc4O5)c32)cc1.c1ccc(N2c3ccccc3Oc3c2ccc2c3c3ccccc3n2-c2cc3c4c(c2)Oc2ccccc2B4c2ccccc2O3)cc1.c1ccc(N2c3ccccc3Oc3cc4c5ccccc5n(-c5cc6c7c(c5)Oc5ccccc5B7c5ccccc5O6)c4cc32)cc1.

What is the InChIKey of 12-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-5,13-diphenylindolo[2,3-a]phenazine;8-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-5-phenylindolo[2,3-c]phenoxazine;10-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-14-phenyl-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

The InChIKey is LCTGBOCZNPGOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30BN3O2.2C42H25BN2O3/c1-3-15-31(16-4-1)50-39-23-11-12-24-40(39)51(32-17-5-2-6-18-32)48-41(50)28-27-35-34-19-7-10-22-38(34)52(47(35)48)33-29-44-46-45(30-33)54-43-26-14-9-21-37(43)49(46)36-20-8-13-25-42(36)53-44;1-2-12-26(13-3-1)44-33-18-8-11-21-38(33)48-39-24-29-28-14-4-7-17-32(28)45(34(29)25-35(39)44)27-22-40-42-41(23-27)47-37-20-10-6-16-31(37)43(42)30-15-5-9-19-36(30)46-40;1-2-12-26(13-3-1)44-32-18-8-11-21-37(32)48-42-34(44)23-22-33-40(42)28-14-4-7-17-31(28)45(33)27-24-38-41-39(25-27)47-36-20-10-6-16-30(36)43(41)29-15-5-9-19-35(29)46-38/h1-30H;2*1-25H.

What are the key properties of 12-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-5,13-diphenylindolo[2,3-a]phenazine;8-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-5-phenylindolo[2,3-c]phenoxazine;10-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-14-phenyl-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

12-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-5,13-diphenylindolo[2,3-a]phenazine;8-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-5-phenylindolo[2,3-c]phenoxazine;10-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-14-phenyl-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene has a molecular weight of 1924.57 g/mol, XLogP of 28.94, 7 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 12-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-5,13-diphenylindolo[2,3-a]phenazine;8-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-5-phenylindolo[2,3-c]phenoxazine;10-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-14-phenyl-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is sourced from PubChem (CID 159312731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).