9,9-dimethyl-4-phenyl-2-[3-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine

C46H33N3Si — CID 154010674

About 9,9-dimethyl-4-phenyl-2-[3-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine

9,9-dimethyl-4-phenyl-2-[3-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine (PubChem CID 154010674) has the molecular formula C46H33N3Si and a molecular weight of 655.88 g/mol. Its IUPAC name is 9,9-dimethyl-4-phenyl-2-[3-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine.

Molecular Properties

• Compound Name: 9,9-dimethyl-4-phenyl-2-[3-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine
• PubChem CID: 154010674
• Molecular Formula: C46H33N3Si
• Molecular Weight: 655.88 g/mol
• Exact Mass: 655.24
• IUPAC Name: 9,9-dimethyl-4-phenyl-2-[3-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine
• SMILES: C[Si]1(C)c2ccccc2-c2c(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4ccccc4)c3)nc21
• InChI: InChI=1S/C46H33N3Si/c1-50(2)41-23-12-11-22-37(41)43-44(31-15-5-3-6-16-31)47-45(48-46(43)50)34-18-13-17-32(28-34)33-25-26-39-38(29-33)42-36-21-10-9-14-30(36)24-27-40(42)49(39)35-19-7-4-8-20-35/h3-29H,1-2H3
• InChIKey: GSPKNIRBUXRMEV-UHFFFAOYSA-N
• XLogP: 10.53
• TPSA: 30.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	655.88
LogP ≤ 5	10.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-4-phenyl-2-[3-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine?

The IUPAC name of 9,9-dimethyl-4-phenyl-2-[3-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine (CID 154010674) is 9,9-dimethyl-4-phenyl-2-[3-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine.

What is the SMILES notation for 9,9-dimethyl-4-phenyl-2-[3-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine?

The canonical SMILES for 9,9-dimethyl-4-phenyl-2-[3-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine is C[Si]1(C)c2ccccc2-c2c(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4ccccc4)c3)nc21.

What is the InChIKey of 9,9-dimethyl-4-phenyl-2-[3-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine?

The InChIKey is GSPKNIRBUXRMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33N3Si/c1-50(2)41-23-12-11-22-37(41)43-44(31-15-5-3-6-16-31)47-45(48-46(43)50)34-18-13-17-32(28-34)33-25-26-39-38(29-33)42-36-21-10-9-14-30(36)24-27-40(42)49(39)35-19-7-4-8-20-35/h3-29H,1-2H3.

What are the key properties of 9,9-dimethyl-4-phenyl-2-[3-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine?

9,9-dimethyl-4-phenyl-2-[3-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine has a molecular weight of 655.88 g/mol, XLogP of 10.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-4-phenyl-2-[3-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine is sourced from PubChem (CID 154010674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).