11-bromo-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3-(9H-carbazol-3-yl)-6,9-diphenylcarbazole;11-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene

C108H67BrN6O4 — CID 161144927

About 11-bromo-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3-(9H-carbazol-3-yl)-6,9-diphenylcarbazole;11-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene

11-bromo-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3-(9H-carbazol-3-yl)-6,9-diphenylcarbazole;11-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene (PubChem CID 161144927) has the molecular formula C108H67BrN6O4 and a molecular weight of 1592.67 g/mol. Its IUPAC name is 11-bromo-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3-(9H-carbazol-3-yl)-6,9-diphenylcarbazole;11-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene.

Molecular Properties

• Compound Name: 11-bromo-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3-(9H-carbazol-3-yl)-6,9-diphenylcarbazole;11-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
• PubChem CID: 161144927
• Molecular Formula: C108H67BrN6O4
• Molecular Weight: 1592.67 g/mol
• Exact Mass: 1590.44
• IUPAC Name: 11-bromo-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3-(9H-carbazol-3-yl)-6,9-diphenylcarbazole;11-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
• SMILES: Brc1cc2c3c(c1)Oc1ccccc1N3c1ccccc1O2.c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5[nH]c6ccccc6c5c4)ccc2n3-c2ccccc2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4ccccc4n5-c4cc5c6c(c4)Oc4ccccc4N6c4ccccc4O5)ccc2n3-c2ccccc2)cc1
• InChI: InChI=1S/C54H33N3O2.C36H24N2.C18H10BrNO2/c1-3-13-34(14-4-1)35-23-26-46-42(29-35)43-31-37(25-28-47(43)55(46)38-15-5-2-6-16-38)36-24-27-45-41(30-36)40-17-7-8-18-44(40)56(45)39-32-52-54-53(33-39)59-51-22-12-10-20-49(51)57(54)48-19-9-11-21-50(48)58-52;1-3-9-24(10-4-1)25-16-19-35-31(22-25)32-23-27(17-20-36(32)38(35)28-11-5-2-6-12-28)26-15-18-34-30(21-26)29-13-7-8-14-33(29)37-34;19-11-9-16-18-17(10-11)22-15-8-4-2-6-13(15)20(18)12-5-1-3-7-14(12)21-16/h1-33H;1-23,37H;1-10H
• InChIKey: UNXOZXMDGIFMQR-UHFFFAOYSA-N
• XLogP: 30.78
• TPSA: 73.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1592.67
LogP ≤ 5	30.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 11-bromo-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3-(9H-carbazol-3-yl)-6,9-diphenylcarbazole;11-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?

The IUPAC name of 11-bromo-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3-(9H-carbazol-3-yl)-6,9-diphenylcarbazole;11-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene (CID 161144927) is 11-bromo-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3-(9H-carbazol-3-yl)-6,9-diphenylcarbazole;11-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene.

What is the SMILES notation for 11-bromo-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3-(9H-carbazol-3-yl)-6,9-diphenylcarbazole;11-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?

The canonical SMILES for 11-bromo-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3-(9H-carbazol-3-yl)-6,9-diphenylcarbazole;11-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene is Brc1cc2c3c(c1)Oc1ccccc1N3c1ccccc1O2.c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5[nH]c6ccccc6c5c4)ccc2n3-c2ccccc2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4ccccc4n5-c4cc5c6c(c4)Oc4ccccc4N6c4ccccc4O5)ccc2n3-c2ccccc2)cc1.

What is the InChIKey of 11-bromo-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3-(9H-carbazol-3-yl)-6,9-diphenylcarbazole;11-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?

The InChIKey is UNXOZXMDGIFMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N3O2.C36H24N2.C18H10BrNO2/c1-3-13-34(14-4-1)35-23-26-46-42(29-35)43-31-37(25-28-47(43)55(46)38-15-5-2-6-16-38)36-24-27-45-41(30-36)40-17-7-8-18-44(40)56(45)39-32-52-54-53(33-39)59-51-22-12-10-20-49(51)57(54)48-19-9-11-21-50(48)58-52;1-3-9-24(10-4-1)25-16-19-35-31(22-25)32-23-27(17-20-36(32)38(35)28-11-5-2-6-12-28)26-15-18-34-30(21-26)29-13-7-8-14-33(29)37-34;19-11-9-16-18-17(10-11)22-15-8-4-2-6-13(15)20(18)12-5-1-3-7-14(12)21-16/h1-33H;1-23,37H;1-10H.

What are the key properties of 11-bromo-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3-(9H-carbazol-3-yl)-6,9-diphenylcarbazole;11-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?

11-bromo-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3-(9H-carbazol-3-yl)-6,9-diphenylcarbazole;11-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene has a molecular weight of 1592.67 g/mol, XLogP of 30.78, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 11-bromo-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3-(9H-carbazol-3-yl)-6,9-diphenylcarbazole;11-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene is sourced from PubChem (CID 161144927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).