10-[4'-(9,9-dimethylacridin-10-yl)-10-phenylspiro[benzo[b][1,4]benzosilaborinine-5,1'-silole]-3'-yl]-9,9-dimethylacridine

C52H43BN2Si — CID 155653881

About 10-[4'-(9,9-dimethylacridin-10-yl)-10-phenylspiro[benzo[b][1,4]benzosilaborinine-5,1'-silole]-3'-yl]-9,9-dimethylacridine

10-[4'-(9,9-dimethylacridin-10-yl)-10-phenylspiro[benzo[b][1,4]benzosilaborinine-5,1'-silole]-3'-yl]-9,9-dimethylacridine (PubChem CID 155653881) has the molecular formula C52H43BN2Si and a molecular weight of 734.83 g/mol. Its IUPAC name is 10-[4'-(9,9-dimethylacridin-10-yl)-10-phenylspiro[benzo[b][1,4]benzosilaborinine-5,1'-silole]-3'-yl]-9,9-dimethylacridine.

Molecular Properties

• Compound Name: 10-[4'-(9,9-dimethylacridin-10-yl)-10-phenylspiro[benzo[b][1,4]benzosilaborinine-5,1'-silole]-3'-yl]-9,9-dimethylacridine
• PubChem CID: 155653881
• Molecular Formula: C52H43BN2Si
• Molecular Weight: 734.83 g/mol
• Exact Mass: 734.33
• IUPAC Name: 10-[4'-(9,9-dimethylacridin-10-yl)-10-phenylspiro[benzo[b][1,4]benzosilaborinine-5,1'-silole]-3'-yl]-9,9-dimethylacridine
• SMILES: CC1(C)c2ccccc2N(C2=C[Si]3(C=C2N2c4ccccc4C(C)(C)c4ccccc42)c2ccccc2B(c2ccccc2)c2ccccc23)c2ccccc21
• InChI: InChI=1S/C52H43BN2Si/c1-51(2)37-22-8-14-28-43(37)54(44-29-15-9-23-38(44)51)47-34-56(35-48(47)55-45-30-16-10-24-39(45)52(3,4)40-25-11-17-31-46(40)55)49-32-18-12-26-41(49)53(36-20-6-5-7-21-36)42-27-13-19-33-50(42)56/h5-35H,1-4H3
• InChIKey: QRICXEHDGRHMGX-UHFFFAOYSA-N
• XLogP: 8.89
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	734.83
LogP ≤ 5	8.89
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-[4'-(9,9-dimethylacridin-10-yl)-10-phenylspiro[benzo[b][1,4]benzosilaborinine-5,1'-silole]-3'-yl]-9,9-dimethylacridine?

The IUPAC name of 10-[4'-(9,9-dimethylacridin-10-yl)-10-phenylspiro[benzo[b][1,4]benzosilaborinine-5,1'-silole]-3'-yl]-9,9-dimethylacridine (CID 155653881) is 10-[4'-(9,9-dimethylacridin-10-yl)-10-phenylspiro[benzo[b][1,4]benzosilaborinine-5,1'-silole]-3'-yl]-9,9-dimethylacridine.

What is the SMILES notation for 10-[4'-(9,9-dimethylacridin-10-yl)-10-phenylspiro[benzo[b][1,4]benzosilaborinine-5,1'-silole]-3'-yl]-9,9-dimethylacridine?

The canonical SMILES for 10-[4'-(9,9-dimethylacridin-10-yl)-10-phenylspiro[benzo[b][1,4]benzosilaborinine-5,1'-silole]-3'-yl]-9,9-dimethylacridine is CC1(C)c2ccccc2N(C2=C[Si]3(C=C2N2c4ccccc4C(C)(C)c4ccccc42)c2ccccc2B(c2ccccc2)c2ccccc23)c2ccccc21.

What is the InChIKey of 10-[4'-(9,9-dimethylacridin-10-yl)-10-phenylspiro[benzo[b][1,4]benzosilaborinine-5,1'-silole]-3'-yl]-9,9-dimethylacridine?

The InChIKey is QRICXEHDGRHMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H43BN2Si/c1-51(2)37-22-8-14-28-43(37)54(44-29-15-9-23-38(44)51)47-34-56(35-48(47)55-45-30-16-10-24-39(45)52(3,4)40-25-11-17-31-46(40)55)49-32-18-12-26-41(49)53(36-20-6-5-7-21-36)42-27-13-19-33-50(42)56/h5-35H,1-4H3.

What are the key properties of 10-[4'-(9,9-dimethylacridin-10-yl)-10-phenylspiro[benzo[b][1,4]benzosilaborinine-5,1'-silole]-3'-yl]-9,9-dimethylacridine?

10-[4'-(9,9-dimethylacridin-10-yl)-10-phenylspiro[benzo[b][1,4]benzosilaborinine-5,1'-silole]-3'-yl]-9,9-dimethylacridine has a molecular weight of 734.83 g/mol, XLogP of 8.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[4'-(9,9-dimethylacridin-10-yl)-10-phenylspiro[benzo[b][1,4]benzosilaborinine-5,1'-silole]-3'-yl]-9,9-dimethylacridine is sourced from PubChem (CID 155653881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).