5,5-dimethyl-2-[3-(7-methylindolo[2,3-b]carbazol-5-yl)phenyl]-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine

C43H32N4Si — CID 140805854

About 5,5-dimethyl-2-[3-(7-methylindolo[2,3-b]carbazol-5-yl)phenyl]-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine

5,5-dimethyl-2-[3-(7-methylindolo[2,3-b]carbazol-5-yl)phenyl]-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine (PubChem CID 140805854) has the molecular formula C43H32N4Si and a molecular weight of 632.84 g/mol. Its IUPAC name is 5,5-dimethyl-2-[3-(7-methylindolo[2,3-b]carbazol-5-yl)phenyl]-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine.

Molecular Properties

• Compound Name: 5,5-dimethyl-2-[3-(7-methylindolo[2,3-b]carbazol-5-yl)phenyl]-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine
• PubChem CID: 140805854
• Molecular Formula: C43H32N4Si
• Molecular Weight: 632.84 g/mol
• Exact Mass: 632.24
• IUPAC Name: 5,5-dimethyl-2-[3-(7-methylindolo[2,3-b]carbazol-5-yl)phenyl]-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine
• SMILES: Cn1c2ccccc2c2cc3c4ccccc4n(-c4cccc(-c5nc(-c6ccccc6)c6c(n5)-c5ccccc5[Si]6(C)C)c4)c3cc21
• InChI: InChI=1S/C43H32N4Si/c1-46-35-21-10-7-18-30(35)33-25-34-31-19-8-11-22-36(31)47(38(34)26-37(33)46)29-17-13-16-28(24-29)43-44-40(27-14-5-4-6-15-27)42-41(45-43)32-20-9-12-23-39(32)48(42,2)3/h4-26H,1-3H3
• InChIKey: JEJGLSSOLBEZLD-UHFFFAOYSA-N
• XLogP: 9.36
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	632.84
LogP ≤ 5	9.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-[3-(7-methylindolo[2,3-b]carbazol-5-yl)phenyl]-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine?

The IUPAC name of 5,5-dimethyl-2-[3-(7-methylindolo[2,3-b]carbazol-5-yl)phenyl]-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine (CID 140805854) is 5,5-dimethyl-2-[3-(7-methylindolo[2,3-b]carbazol-5-yl)phenyl]-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine.

What is the SMILES notation for 5,5-dimethyl-2-[3-(7-methylindolo[2,3-b]carbazol-5-yl)phenyl]-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine?

The canonical SMILES for 5,5-dimethyl-2-[3-(7-methylindolo[2,3-b]carbazol-5-yl)phenyl]-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine is Cn1c2ccccc2c2cc3c4ccccc4n(-c4cccc(-c5nc(-c6ccccc6)c6c(n5)-c5ccccc5[Si]6(C)C)c4)c3cc21.

What is the InChIKey of 5,5-dimethyl-2-[3-(7-methylindolo[2,3-b]carbazol-5-yl)phenyl]-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine?

The InChIKey is JEJGLSSOLBEZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32N4Si/c1-46-35-21-10-7-18-30(35)33-25-34-31-19-8-11-22-36(31)47(38(34)26-37(33)46)29-17-13-16-28(24-29)43-44-40(27-14-5-4-6-15-27)42-41(45-43)32-20-9-12-23-39(32)48(42,2)3/h4-26H,1-3H3.

What are the key properties of 5,5-dimethyl-2-[3-(7-methylindolo[2,3-b]carbazol-5-yl)phenyl]-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine?

5,5-dimethyl-2-[3-(7-methylindolo[2,3-b]carbazol-5-yl)phenyl]-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine has a molecular weight of 632.84 g/mol, XLogP of 9.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5-dimethyl-2-[3-(7-methylindolo[2,3-b]carbazol-5-yl)phenyl]-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine is sourced from PubChem (CID 140805854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).