6-[2-(10-dibenzofuran-4-ylanthracen-9-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;10-[2-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-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-nonaene;6-[2-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene

C154H89B3O9 — CID 158458812

About 6-[2-(10-dibenzofuran-4-ylanthracen-9-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;10-[2-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-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-nonaene;6-[2-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene

6-[2-(10-dibenzofuran-4-ylanthracen-9-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;10-[2-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-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-nonaene;6-[2-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene (PubChem CID 158458812) has the molecular formula C154H89B3O9 and a molecular weight of 2115.83 g/mol. Its IUPAC name is 6-[2-(10-dibenzofuran-4-ylanthracen-9-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;10-[2-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-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-nonaene;6-[2-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene.

Molecular Properties

• Compound Name: 6-[2-(10-dibenzofuran-4-ylanthracen-9-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;10-[2-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-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-nonaene;6-[2-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
• PubChem CID: 158458812
• Molecular Formula: C154H89B3O9
• Molecular Weight: 2115.83 g/mol
• Exact Mass: 2114.68
• IUPAC Name: 6-[2-(10-dibenzofuran-4-ylanthracen-9-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;10-[2-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-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-nonaene;6-[2-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
• SMILES: c1ccc2c(c1)Oc1ccc(-c3ccccc3-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)c3c1B2c1ccccc1O3.c1ccc2c(c1)Oc1cccc3c1B2c1cccc(-c2ccccc2-c2c4ccccc4c(-c4ccc5oc6cc7ccccc7cc6c5c4)c4ccccc24)c1O3.c1ccc2c(c1)Oc1cccc3c1B2c1cccc(-c2ccccc2-c2c4ccccc4c(-c4cccc5c4oc4ccccc45)c4ccccc24)c1O3
• InChI: InChI=1S/C54H31BO3.2C50H29BO3/c1-2-14-33-31-50-43(29-32(33)13-1)42-30-34(27-28-46(42)56-50)51-37-17-5-7-19-39(37)52(40-20-8-6-18-38(40)51)36-16-4-3-15-35(36)41-21-11-23-45-54(41)58-49-26-12-25-48-53(49)55(45)44-22-9-10-24-47(44)57-48;1-2-15-33(31(13-1)38-26-28-46-49-50(38)54-45-24-12-9-21-41(45)51(49)40-20-8-11-23-44(40)53-46)48-36-18-5-3-16-34(36)47(35-17-4-6-19-37(35)48)30-25-27-43-39(29-30)32-14-7-10-22-42(32)52-43;1-2-16-32(30(14-1)37-22-12-25-41-50(37)54-45-29-13-28-44-48(45)51(41)40-24-8-10-27-43(40)52-44)46-33-17-3-5-19-35(33)47(36-20-6-4-18-34(36)46)39-23-11-21-38-31-15-7-9-26-42(31)53-49(38)39/h1-31H;2*1-29H
• InChIKey: HEXDKRDFMGNFOO-UHFFFAOYSA-N
• XLogP: 36.02
• TPSA: 94.80 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2115.83
LogP ≤ 5	36.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[2-(10-dibenzofuran-4-ylanthracen-9-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;10-[2-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-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-nonaene;6-[2-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene?

The IUPAC name of 6-[2-(10-dibenzofuran-4-ylanthracen-9-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;10-[2-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-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-nonaene;6-[2-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene (CID 158458812) is 6-[2-(10-dibenzofuran-4-ylanthracen-9-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;10-[2-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-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-nonaene;6-[2-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene.

What is the SMILES notation for 6-[2-(10-dibenzofuran-4-ylanthracen-9-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;10-[2-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-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-nonaene;6-[2-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene?

The canonical SMILES for 6-[2-(10-dibenzofuran-4-ylanthracen-9-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;10-[2-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-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-nonaene;6-[2-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene is c1ccc2c(c1)Oc1ccc(-c3ccccc3-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)c3c1B2c1ccccc1O3.c1ccc2c(c1)Oc1cccc3c1B2c1cccc(-c2ccccc2-c2c4ccccc4c(-c4ccc5oc6cc7ccccc7cc6c5c4)c4ccccc24)c1O3.c1ccc2c(c1)Oc1cccc3c1B2c1cccc(-c2ccccc2-c2c4ccccc4c(-c4cccc5c4oc4ccccc45)c4ccccc24)c1O3.

What is the InChIKey of 6-[2-(10-dibenzofuran-4-ylanthracen-9-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;10-[2-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-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-nonaene;6-[2-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene?

The InChIKey is HEXDKRDFMGNFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H31BO3.2C50H29BO3/c1-2-14-33-31-50-43(29-32(33)13-1)42-30-34(27-28-46(42)56-50)51-37-17-5-7-19-39(37)52(40-20-8-6-18-38(40)51)36-16-4-3-15-35(36)41-21-11-23-45-54(41)58-49-26-12-25-48-53(49)55(45)44-22-9-10-24-47(44)57-48;1-2-15-33(31(13-1)38-26-28-46-49-50(38)54-45-24-12-9-21-41(45)51(49)40-20-8-11-23-44(40)53-46)48-36-18-5-3-16-34(36)47(35-17-4-6-19-37(35)48)30-25-27-43-39(29-30)32-14-7-10-22-42(32)52-43;1-2-16-32(30(14-1)37-22-12-25-41-50(37)54-45-29-13-28-44-48(45)51(41)40-24-8-10-27-43(40)52-44)46-33-17-3-5-19-35(33)47(36-20-6-4-18-34(36)46)39-23-11-21-38-31-15-7-9-26-42(31)53-49(38)39/h1-31H;2*1-29H.

What are the key properties of 6-[2-(10-dibenzofuran-4-ylanthracen-9-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;10-[2-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-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-nonaene;6-[2-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene?

6-[2-(10-dibenzofuran-4-ylanthracen-9-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;10-[2-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-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-nonaene;6-[2-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene has a molecular weight of 2115.83 g/mol, XLogP of 36.02, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(10-dibenzofuran-4-ylanthracen-9-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;10-[2-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-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-nonaene;6-[2-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene is sourced from PubChem (CID 158458812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).