10-(2,20-dithia-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-dithia-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-dimethylbenzo[b][1,4]benzazasiline;10-(2,20-dithia-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-diphenylacridine

C108H76B3N3S6Si — CID 157182655

About 10-(2,20-dithia-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-dithia-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-dimethylbenzo[b][1,4]benzazasiline;10-(2,20-dithia-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-diphenylacridine

10-(2,20-dithia-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-dithia-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-dimethylbenzo[b][1,4]benzazasiline;10-(2,20-dithia-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-diphenylacridine (PubChem CID 157182655) has the molecular formula C108H76B3N3S6Si and a molecular weight of 1668.74 g/mol. Its IUPAC name is 10-(2,20-dithia-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-dithia-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-dimethylbenzo[b][1,4]benzazasiline;10-(2,20-dithia-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-diphenylacridine.

Molecular Properties

• Compound Name: 10-(2,20-dithia-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-dithia-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-dimethylbenzo[b][1,4]benzazasiline;10-(2,20-dithia-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-diphenylacridine
• PubChem CID: 157182655
• Molecular Formula: C108H76B3N3S6Si
• Molecular Weight: 1668.74 g/mol
• Exact Mass: 1667.44
• IUPAC Name: 10-(2,20-dithia-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-dithia-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-dimethylbenzo[b][1,4]benzazasiline;10-(2,20-dithia-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-diphenylacridine
• SMILES: CC1(C)c2ccccc2N(c2cc3c4c(c2)-c2ccccc2SB4Sc2ccccc2-3)c2ccccc21.C[Si]1(C)c2ccccc2N(c2cc3c4c(c2)-c2ccccc2SB4Sc2ccccc2-3)c2ccccc21.c1ccc(C2(c3ccccc3)c3ccccc3N(c3cc4c5c(c3)-c3ccccc3SB5Sc3ccccc3-4)c3ccccc32)cc1
• InChI: InChI=1S/C43H28BNS2.C33H24BNS2.C32H24BNS2Si/c1-3-15-29(16-4-1)43(30-17-5-2-6-18-30)36-21-9-11-23-38(36)45(39-24-12-10-22-37(39)43)31-27-34-32-19-7-13-25-40(32)46-44-42(34)35(28-31)33-20-8-14-26-41(33)47-44;1-33(2)26-13-5-7-15-28(26)35(29-16-8-6-14-27(29)33)21-19-24-22-11-3-9-17-30(22)36-34-32(24)25(20-21)23-12-4-10-18-31(23)37-34;1-37(2)30-17-9-5-13-26(30)34(27-14-6-10-18-31(27)37)21-19-24-22-11-3-7-15-28(22)35-33-32(24)25(20-21)23-12-4-8-16-29(23)36-33/h1-28H;2*3-20H,1-2H3
• InChIKey: AOTAAKPIFCCFTN-UHFFFAOYSA-N
• XLogP: 27.66
• TPSA: 9.72 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1668.74
LogP ≤ 5	27.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-(2,20-dithia-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-dithia-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-dimethylbenzo[b][1,4]benzazasiline;10-(2,20-dithia-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-diphenylacridine?

The IUPAC name of 10-(2,20-dithia-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-dithia-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-dimethylbenzo[b][1,4]benzazasiline;10-(2,20-dithia-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-diphenylacridine (CID 157182655) is 10-(2,20-dithia-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-dithia-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-dimethylbenzo[b][1,4]benzazasiline;10-(2,20-dithia-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-diphenylacridine.

What is the SMILES notation for 10-(2,20-dithia-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-dithia-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-dimethylbenzo[b][1,4]benzazasiline;10-(2,20-dithia-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-diphenylacridine?

The canonical SMILES for 10-(2,20-dithia-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-dithia-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-dimethylbenzo[b][1,4]benzazasiline;10-(2,20-dithia-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-diphenylacridine is CC1(C)c2ccccc2N(c2cc3c4c(c2)-c2ccccc2SB4Sc2ccccc2-3)c2ccccc21.C[Si]1(C)c2ccccc2N(c2cc3c4c(c2)-c2ccccc2SB4Sc2ccccc2-3)c2ccccc21.c1ccc(C2(c3ccccc3)c3ccccc3N(c3cc4c5c(c3)-c3ccccc3SB5Sc3ccccc3-4)c3ccccc32)cc1.

What is the InChIKey of 10-(2,20-dithia-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-dithia-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-dimethylbenzo[b][1,4]benzazasiline;10-(2,20-dithia-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-diphenylacridine?

The InChIKey is AOTAAKPIFCCFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28BNS2.C33H24BNS2.C32H24BNS2Si/c1-3-15-29(16-4-1)43(30-17-5-2-6-18-30)36-21-9-11-23-38(36)45(39-24-12-10-22-37(39)43)31-27-34-32-19-7-13-25-40(32)46-44-42(34)35(28-31)33-20-8-14-26-41(33)47-44;1-33(2)26-13-5-7-15-28(26)35(29-16-8-6-14-27(29)33)21-19-24-22-11-3-9-17-30(22)36-34-32(24)25(20-21)23-12-4-10-18-31(23)37-34;1-37(2)30-17-9-5-13-26(30)34(27-14-6-10-18-31(27)37)21-19-24-22-11-3-7-15-28(22)35-33-32(24)25(20-21)23-12-4-8-16-29(23)36-33/h1-28H;2*3-20H,1-2H3.

What are the key properties of 10-(2,20-dithia-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-dithia-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-dimethylbenzo[b][1,4]benzazasiline;10-(2,20-dithia-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-diphenylacridine?

10-(2,20-dithia-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-dithia-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-dimethylbenzo[b][1,4]benzazasiline;10-(2,20-dithia-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-diphenylacridine has a molecular weight of 1668.74 g/mol, XLogP of 27.66, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(2,20-dithia-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-dithia-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-dimethylbenzo[b][1,4]benzazasiline;10-(2,20-dithia-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-diphenylacridine is sourced from PubChem (CID 157182655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).