2-carbazol-9-yl-10-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-9,9-dimethylacridine;2-(9,9-dimethyl-10-phenylacridin-2-yl)-10-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-9,9-dimethylacridine;5-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-10,10-diphenylbenzo[b][1,4]benzazasiline

C141H100B3N5O6Si — CID 161201632

About 2-carbazol-9-yl-10-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-9,9-dimethylacridine;2-(9,9-dimethyl-10-phenylacridin-2-yl)-10-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-9,9-dimethylacridine;5-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-10,10-diphenylbenzo[b][1,4]benzazasiline

2-carbazol-9-yl-10-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-9,9-dimethylacridine;2-(9,9-dimethyl-10-phenylacridin-2-yl)-10-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-9,9-dimethylacridine;5-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-10,10-diphenylbenzo[b][1,4]benzazasiline (PubChem CID 161201632) has the molecular formula C141H100B3N5O6Si and a molecular weight of 2020.90 g/mol. Its IUPAC name is 2-carbazol-9-yl-10-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-9,9-dimethylacridine;2-(9,9-dimethyl-10-phenylacridin-2-yl)-10-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-9,9-dimethylacridine;5-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-10,10-diphenylbenzo[b][1,4]benzazasiline.

Molecular Properties

• Compound Name: 2-carbazol-9-yl-10-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-9,9-dimethylacridine;2-(9,9-dimethyl-10-phenylacridin-2-yl)-10-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-9,9-dimethylacridine;5-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-10,10-diphenylbenzo[b][1,4]benzazasiline
• PubChem CID: 161201632
• Molecular Formula: C141H100B3N5O6Si
• Molecular Weight: 2020.90 g/mol
• Exact Mass: 2019.77
• IUPAC Name: 2-carbazol-9-yl-10-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-9,9-dimethylacridine;2-(9,9-dimethyl-10-phenylacridin-2-yl)-10-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-9,9-dimethylacridine;5-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-10,10-diphenylbenzo[b][1,4]benzazasiline
• SMILES: CC1(C)c2ccccc2N(c2cc3c4c(c2)-c2ccccc2OB4Oc2ccccc2-3)c2ccc(-n3c4ccccc4c4ccccc43)cc21.CC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3N4c3cc4c5c(c3)-c3ccccc3OB5Oc3ccccc3-4)cc21.c1ccc([Si]2(c3ccccc3)c3ccccc3N(c3cc4c5c(c3)-c3ccccc3OB5Oc3ccccc3-4)c3ccccc32)cc1
• InChI: InChI=1S/C54H41BN2O2.C45H31BN2O2.C42H28BNO2Si/c1-53(2)42-20-10-12-22-46(42)56(36-16-6-5-7-17-36)48-28-26-34(30-44(48)53)35-27-29-49-45(31-35)54(3,4)43-21-11-13-23-47(43)57(49)37-32-40-38-18-8-14-24-50(38)58-55-52(40)41(33-37)39-19-9-15-25-51(39)59-55;1-45(2)36-17-7-10-20-40(36)48(41-24-23-28(27-37(41)45)47-38-18-8-3-13-30(38)31-14-4-9-19-39(31)47)29-25-34-32-15-5-11-21-42(32)49-46-44(34)35(26-29)33-16-6-12-22-43(33)50-46;1-3-15-30(16-4-1)47(31-17-5-2-6-18-31)40-25-13-9-21-36(40)44(37-22-10-14-26-41(37)47)29-27-34-32-19-7-11-23-38(32)45-43-42(34)35(28-29)33-20-8-12-24-39(33)46-43/h5-33H,1-4H3;3-27H,1-2H3;1-28H
• InChIKey: UVBBDNRDPKUONQ-UHFFFAOYSA-N
• XLogP: 30.75
• TPSA: 73.27 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2020.90
LogP ≤ 5	30.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-10-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-9,9-dimethylacridine;2-(9,9-dimethyl-10-phenylacridin-2-yl)-10-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-9,9-dimethylacridine;5-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-10,10-diphenylbenzo[b][1,4]benzazasiline?

The IUPAC name of 2-carbazol-9-yl-10-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-9,9-dimethylacridine;2-(9,9-dimethyl-10-phenylacridin-2-yl)-10-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-9,9-dimethylacridine;5-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-10,10-diphenylbenzo[b][1,4]benzazasiline (CID 161201632) is 2-carbazol-9-yl-10-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-9,9-dimethylacridine;2-(9,9-dimethyl-10-phenylacridin-2-yl)-10-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-9,9-dimethylacridine;5-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-10,10-diphenylbenzo[b][1,4]benzazasiline.

What is the SMILES notation for 2-carbazol-9-yl-10-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-9,9-dimethylacridine;2-(9,9-dimethyl-10-phenylacridin-2-yl)-10-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-9,9-dimethylacridine;5-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-10,10-diphenylbenzo[b][1,4]benzazasiline?

The canonical SMILES for 2-carbazol-9-yl-10-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-9,9-dimethylacridine;2-(9,9-dimethyl-10-phenylacridin-2-yl)-10-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-9,9-dimethylacridine;5-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-10,10-diphenylbenzo[b][1,4]benzazasiline is CC1(C)c2ccccc2N(c2cc3c4c(c2)-c2ccccc2OB4Oc2ccccc2-3)c2ccc(-n3c4ccccc4c4ccccc43)cc21.CC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3N4c3cc4c5c(c3)-c3ccccc3OB5Oc3ccccc3-4)cc21.c1ccc([Si]2(c3ccccc3)c3ccccc3N(c3cc4c5c(c3)-c3ccccc3OB5Oc3ccccc3-4)c3ccccc32)cc1.

What is the InChIKey of 2-carbazol-9-yl-10-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-9,9-dimethylacridine;2-(9,9-dimethyl-10-phenylacridin-2-yl)-10-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-9,9-dimethylacridine;5-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-10,10-diphenylbenzo[b][1,4]benzazasiline?

The InChIKey is UVBBDNRDPKUONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H41BN2O2.C45H31BN2O2.C42H28BNO2Si/c1-53(2)42-20-10-12-22-46(42)56(36-16-6-5-7-17-36)48-28-26-34(30-44(48)53)35-27-29-49-45(31-35)54(3,4)43-21-11-13-23-47(43)57(49)37-32-40-38-18-8-14-24-50(38)58-55-52(40)41(33-37)39-19-9-15-25-51(39)59-55;1-45(2)36-17-7-10-20-40(36)48(41-24-23-28(27-37(41)45)47-38-18-8-3-13-30(38)31-14-4-9-19-39(31)47)29-25-34-32-15-5-11-21-42(32)49-46-44(34)35(26-29)33-16-6-12-22-43(33)50-46;1-3-15-30(16-4-1)47(31-17-5-2-6-18-31)40-25-13-9-21-36(40)44(37-22-10-14-26-41(37)47)29-27-34-32-19-7-11-23-38(32)45-43-42(34)35(28-29)33-20-8-12-24-39(33)46-43/h5-33H,1-4H3;3-27H,1-2H3;1-28H.

What are the key properties of 2-carbazol-9-yl-10-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-9,9-dimethylacridine;2-(9,9-dimethyl-10-phenylacridin-2-yl)-10-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-9,9-dimethylacridine;5-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-10,10-diphenylbenzo[b][1,4]benzazasiline?

2-carbazol-9-yl-10-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-9,9-dimethylacridine;2-(9,9-dimethyl-10-phenylacridin-2-yl)-10-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-9,9-dimethylacridine;5-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-10,10-diphenylbenzo[b][1,4]benzazasiline has a molecular weight of 2020.90 g/mol, XLogP of 30.75, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-carbazol-9-yl-10-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-9,9-dimethylacridine;2-(9,9-dimethyl-10-phenylacridin-2-yl)-10-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-9,9-dimethylacridine;5-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-10,10-diphenylbenzo[b][1,4]benzazasiline is sourced from PubChem (CID 161201632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).