10,13-dimethyl-23,24-diphenylspiro[5,22-diaza-17-sila-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6,8,10,12,14,16(34),19,23,25(33),26,28,30-pentadecaene-17,5'-benzo[b][1]benzosilole]

C56H35BN2Si — CID 177289703

About 10,13-dimethyl-23,24-diphenylspiro[5,22-diaza-17-sila-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6,8,10,12,14,16(34),19,23,25(33),26,28,30-pentadecaene-17,5'-benzo[b][1]benzosilole]

10,13-dimethyl-23,24-diphenylspiro[5,22-diaza-17-sila-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6,8,10,12,14,16(34),19,23,25(33),26,28,30-pentadecaene-17,5'-benzo[b][1]benzosilole] (PubChem CID 177289703) has the molecular formula C56H35BN2Si and a molecular weight of 774.81 g/mol. Its IUPAC name is 10,13-dimethyl-23,24-diphenylspiro[5,22-diaza-17-sila-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6,8,10,12,14,16(34),19,23,25(33),26,28,30-pentadecaene-17,5'-benzo[b][1]benzosilole].

Molecular Properties

• Compound Name: 10,13-dimethyl-23,24-diphenylspiro[5,22-diaza-17-sila-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6,8,10,12,14,16(34),19,23,25(33),26,28,30-pentadecaene-17,5'-benzo[b][1]benzosilole]
• PubChem CID: 177289703
• Molecular Formula: C56H35BN2Si
• Molecular Weight: 774.81 g/mol
• Exact Mass: 774.27
• IUPAC Name: 10,13-dimethyl-23,24-diphenylspiro[5,22-diaza-17-sila-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6,8,10,12,14,16(34),19,23,25(33),26,28,30-pentadecaene-17,5'-benzo[b][1]benzosilole]
• SMILES: Cc1ccc2c3c1c1c(C)ccc4c1n3-c1c(ccc3c1B2c1cc2ccccc2c2c(-c5ccccc5)c(-c5ccccc5)n-3c12)[Si]41c2ccccc2-c2ccccc21
• InChI: InChI=1S/C56H35BN2Si/c1-32-25-27-40-53-47(32)48-33(2)26-29-45-55(48)59(53)56-46(60(45)43-23-13-11-21-38(43)39-22-12-14-24-44(39)60)30-28-42-51(56)57(40)41-31-36-19-9-10-20-37(36)50-49(34-15-5-3-6-16-34)52(58(42)54(41)50)35-17-7-4-8-18-35/h3-31H,1-2H3
• InChIKey: HCAYTLMOMGCJMK-UHFFFAOYSA-N
• XLogP: 8.65
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	774.81
LogP ≤ 5	8.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10,13-dimethyl-23,24-diphenylspiro[5,22-diaza-17-sila-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6,8,10,12,14,16(34),19,23,25(33),26,28,30-pentadecaene-17,5'-benzo[b][1]benzosilole]?

The IUPAC name of 10,13-dimethyl-23,24-diphenylspiro[5,22-diaza-17-sila-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6,8,10,12,14,16(34),19,23,25(33),26,28,30-pentadecaene-17,5'-benzo[b][1]benzosilole] (CID 177289703) is 10,13-dimethyl-23,24-diphenylspiro[5,22-diaza-17-sila-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6,8,10,12,14,16(34),19,23,25(33),26,28,30-pentadecaene-17,5'-benzo[b][1]benzosilole].

What is the SMILES notation for 10,13-dimethyl-23,24-diphenylspiro[5,22-diaza-17-sila-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6,8,10,12,14,16(34),19,23,25(33),26,28,30-pentadecaene-17,5'-benzo[b][1]benzosilole]?

The canonical SMILES for 10,13-dimethyl-23,24-diphenylspiro[5,22-diaza-17-sila-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6,8,10,12,14,16(34),19,23,25(33),26,28,30-pentadecaene-17,5'-benzo[b][1]benzosilole] is Cc1ccc2c3c1c1c(C)ccc4c1n3-c1c(ccc3c1B2c1cc2ccccc2c2c(-c5ccccc5)c(-c5ccccc5)n-3c12)[Si]41c2ccccc2-c2ccccc21.

What is the InChIKey of 10,13-dimethyl-23,24-diphenylspiro[5,22-diaza-17-sila-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6,8,10,12,14,16(34),19,23,25(33),26,28,30-pentadecaene-17,5'-benzo[b][1]benzosilole]?

The InChIKey is HCAYTLMOMGCJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35BN2Si/c1-32-25-27-40-53-47(32)48-33(2)26-29-45-55(48)59(53)56-46(60(45)43-23-13-11-21-38(43)39-22-12-14-24-44(39)60)30-28-42-51(56)57(40)41-31-36-19-9-10-20-37(36)50-49(34-15-5-3-6-16-34)52(58(42)54(41)50)35-17-7-4-8-18-35/h3-31H,1-2H3.

What are the key properties of 10,13-dimethyl-23,24-diphenylspiro[5,22-diaza-17-sila-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6,8,10,12,14,16(34),19,23,25(33),26,28,30-pentadecaene-17,5'-benzo[b][1]benzosilole]?

10,13-dimethyl-23,24-diphenylspiro[5,22-diaza-17-sila-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6,8,10,12,14,16(34),19,23,25(33),26,28,30-pentadecaene-17,5'-benzo[b][1]benzosilole] has a molecular weight of 774.81 g/mol, XLogP of 8.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10,13-dimethyl-23,24-diphenylspiro[5,22-diaza-17-sila-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6,8,10,12,14,16(34),19,23,25(33),26,28,30-pentadecaene-17,5'-benzo[b][1]benzosilole] is sourced from PubChem (CID 177289703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).