diphenyl-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]-[8-(9-phenylpyrido[3,4-b]indol-6-yl)dibenzothiophen-4-yl]silane

C71H45N3OSSi — CID 140811572

About diphenyl-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]-[8-(9-phenylpyrido[3,4-b]indol-6-yl)dibenzothiophen-4-yl]silane

diphenyl-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]-[8-(9-phenylpyrido[3,4-b]indol-6-yl)dibenzothiophen-4-yl]silane (PubChem CID 140811572) has the molecular formula C71H45N3OSSi and a molecular weight of 1016.31 g/mol. Its IUPAC name is diphenyl-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]-[8-(9-phenylpyrido[3,4-b]indol-6-yl)dibenzothiophen-4-yl]silane.

Molecular Properties

• Compound Name: diphenyl-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]-[8-(9-phenylpyrido[3,4-b]indol-6-yl)dibenzothiophen-4-yl]silane
• PubChem CID: 140811572
• Molecular Formula: C71H45N3OSSi
• Molecular Weight: 1016.31 g/mol
• Exact Mass: 1015.31
• IUPAC Name: diphenyl-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]-[8-(9-phenylpyrido[3,4-b]indol-6-yl)dibenzothiophen-4-yl]silane
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6c([Si](c7ccccc7)(c7ccccc7)c7cccc8c7sc7ccc(-c9ccc%10c(c9)c9ccncc9n%10-c9ccccc9)cc78)cccc6c5c4)ccc32)cc1
• InChI: InChI=1S/C71H45N3OSSi/c1-5-17-50(18-6-1)73-62-28-14-13-25-54(62)58-41-46(31-35-63(58)73)48-33-37-66-60(43-48)56-26-15-29-68(70(56)75-66)77(52-21-9-3-10-22-52,53-23-11-4-12-24-53)69-30-16-27-57-61-44-49(34-38-67(61)76-71(57)69)47-32-36-64-59(42-47)55-39-40-72-45-65(55)74(64)51-19-7-2-8-20-51/h1-45H
• InChIKey: WHYQJBWAQDMJSZ-UHFFFAOYSA-N
• XLogP: 16.25
• TPSA: 35.89 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1016.31
LogP ≤ 5	16.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of diphenyl-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]-[8-(9-phenylpyrido[3,4-b]indol-6-yl)dibenzothiophen-4-yl]silane?

The IUPAC name of diphenyl-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]-[8-(9-phenylpyrido[3,4-b]indol-6-yl)dibenzothiophen-4-yl]silane (CID 140811572) is diphenyl-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]-[8-(9-phenylpyrido[3,4-b]indol-6-yl)dibenzothiophen-4-yl]silane.

What is the SMILES notation for diphenyl-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]-[8-(9-phenylpyrido[3,4-b]indol-6-yl)dibenzothiophen-4-yl]silane?

The canonical SMILES for diphenyl-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]-[8-(9-phenylpyrido[3,4-b]indol-6-yl)dibenzothiophen-4-yl]silane is c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6c([Si](c7ccccc7)(c7ccccc7)c7cccc8c7sc7ccc(-c9ccc%10c(c9)c9ccncc9n%10-c9ccccc9)cc78)cccc6c5c4)ccc32)cc1.

What is the InChIKey of diphenyl-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]-[8-(9-phenylpyrido[3,4-b]indol-6-yl)dibenzothiophen-4-yl]silane?

The InChIKey is WHYQJBWAQDMJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H45N3OSSi/c1-5-17-50(18-6-1)73-62-28-14-13-25-54(62)58-41-46(31-35-63(58)73)48-33-37-66-60(43-48)56-26-15-29-68(70(56)75-66)77(52-21-9-3-10-22-52,53-23-11-4-12-24-53)69-30-16-27-57-61-44-49(34-38-67(61)76-71(57)69)47-32-36-64-59(42-47)55-39-40-72-45-65(55)74(64)51-19-7-2-8-20-51/h1-45H.

What are the key properties of diphenyl-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]-[8-(9-phenylpyrido[3,4-b]indol-6-yl)dibenzothiophen-4-yl]silane?

diphenyl-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]-[8-(9-phenylpyrido[3,4-b]indol-6-yl)dibenzothiophen-4-yl]silane has a molecular weight of 1016.31 g/mol, XLogP of 16.25, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for diphenyl-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]-[8-(9-phenylpyrido[3,4-b]indol-6-yl)dibenzothiophen-4-yl]silane is sourced from PubChem (CID 140811572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).