9-[4-[3-chloro-10-(4-phenylphenyl)benzo[b][1,4]benzoxasilin-10-yl]naphthalen-1-yl]carbazole

C46H30ClNOSi — CID 177291344

About 9-[4-[3-chloro-10-(4-phenylphenyl)benzo[b][1,4]benzoxasilin-10-yl]naphthalen-1-yl]carbazole

9-[4-[3-chloro-10-(4-phenylphenyl)benzo[b][1,4]benzoxasilin-10-yl]naphthalen-1-yl]carbazole (PubChem CID 177291344) has the molecular formula C46H30ClNOSi and a molecular weight of 676.29 g/mol. Its IUPAC name is 9-[4-[3-chloro-10-(4-phenylphenyl)benzo[b][1,4]benzoxasilin-10-yl]naphthalen-1-yl]carbazole.

Molecular Properties

• Compound Name: 9-[4-[3-chloro-10-(4-phenylphenyl)benzo[b][1,4]benzoxasilin-10-yl]naphthalen-1-yl]carbazole
• PubChem CID: 177291344
• Molecular Formula: C46H30ClNOSi
• Molecular Weight: 676.29 g/mol
• Exact Mass: 675.18
• IUPAC Name: 9-[4-[3-chloro-10-(4-phenylphenyl)benzo[b][1,4]benzoxasilin-10-yl]naphthalen-1-yl]carbazole
• SMILES: Clc1ccc2c(c1)Oc1ccccc1[Si]2(c1ccc(-c2ccccc2)cc1)c1ccc(-n2c3ccccc3c3ccccc32)c2ccccc12
• InChI: InChI=1S/C46H30ClNOSi/c47-33-24-28-46-43(30-33)49-42-20-10-11-21-45(42)50(46,34-25-22-32(23-26-34)31-12-2-1-3-13-31)44-29-27-41(37-16-4-5-17-38(37)44)48-39-18-8-6-14-35(39)36-15-7-9-19-40(36)48/h1-30H
• InChIKey: YONZVGPJERRVMF-UHFFFAOYSA-N
• XLogP: 9.74
• TPSA: 14.16 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	676.29
LogP ≤ 5	9.74
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 9-[4-[3-chloro-10-(4-phenylphenyl)benzo[b][1,4]benzoxasilin-10-yl]naphthalen-1-yl]carbazole?

The IUPAC name of 9-[4-[3-chloro-10-(4-phenylphenyl)benzo[b][1,4]benzoxasilin-10-yl]naphthalen-1-yl]carbazole (CID 177291344) is 9-[4-[3-chloro-10-(4-phenylphenyl)benzo[b][1,4]benzoxasilin-10-yl]naphthalen-1-yl]carbazole.

What is the SMILES notation for 9-[4-[3-chloro-10-(4-phenylphenyl)benzo[b][1,4]benzoxasilin-10-yl]naphthalen-1-yl]carbazole?

The canonical SMILES for 9-[4-[3-chloro-10-(4-phenylphenyl)benzo[b][1,4]benzoxasilin-10-yl]naphthalen-1-yl]carbazole is Clc1ccc2c(c1)Oc1ccccc1[Si]2(c1ccc(-c2ccccc2)cc1)c1ccc(-n2c3ccccc3c3ccccc32)c2ccccc12.

What is the InChIKey of 9-[4-[3-chloro-10-(4-phenylphenyl)benzo[b][1,4]benzoxasilin-10-yl]naphthalen-1-yl]carbazole?

The InChIKey is YONZVGPJERRVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30ClNOSi/c47-33-24-28-46-43(30-33)49-42-20-10-11-21-45(42)50(46,34-25-22-32(23-26-34)31-12-2-1-3-13-31)44-29-27-41(37-16-4-5-17-38(37)44)48-39-18-8-6-14-35(39)36-15-7-9-19-40(36)48/h1-30H.

What are the key properties of 9-[4-[3-chloro-10-(4-phenylphenyl)benzo[b][1,4]benzoxasilin-10-yl]naphthalen-1-yl]carbazole?

9-[4-[3-chloro-10-(4-phenylphenyl)benzo[b][1,4]benzoxasilin-10-yl]naphthalen-1-yl]carbazole has a molecular weight of 676.29 g/mol, XLogP of 9.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[3-chloro-10-(4-phenylphenyl)benzo[b][1,4]benzoxasilin-10-yl]naphthalen-1-yl]carbazole is sourced from PubChem (CID 177291344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).