[13-[3-[2,6-di(dibenzofuran-2-yl)phenyl]carbazol-9-yl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-triphenylsilane

C80H51NO2Si — CID 164844923

About [13-[3-[2,6-di(dibenzofuran-2-yl)phenyl]carbazol-9-yl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-triphenylsilane

[13-[3-[2,6-di(dibenzofuran-2-yl)phenyl]carbazol-9-yl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-triphenylsilane (PubChem CID 164844923) has the molecular formula C80H51NO2Si and a molecular weight of 1086.38 g/mol. Its IUPAC name is [13-[3-[2,6-di(dibenzofuran-2-yl)phenyl]carbazol-9-yl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [13-[3-[2,6-di(dibenzofuran-2-yl)phenyl]carbazol-9-yl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-triphenylsilane
• PubChem CID: 164844923
• Molecular Formula: C80H51NO2Si
• Molecular Weight: 1086.38 g/mol
• Exact Mass: 1085.37
• IUPAC Name: [13-[3-[2,6-di(dibenzofuran-2-yl)phenyl]carbazol-9-yl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-triphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc3c2C2c4ccccc4C3c3cccc(-n4c5ccccc5c5cc(-c6c(-c7ccc8oc9ccccc9c8c7)cccc6-c6ccc7oc8ccccc8c7c6)ccc54)c32)cc1
• InChI: InChI=1S/C80H51NO2Si/c1-4-21-53(22-5-1)84(54-23-6-2-7-24-54,55-25-8-3-9-26-55)75-40-20-35-64-77-61-30-10-11-31-62(61)80(79(64)75)78-63(77)34-19-37-70(78)81-68-36-15-12-27-58(68)65-49-52(41-44-69(65)81)76-56(50-42-45-73-66(47-50)59-28-13-16-38-71(59)82-73)32-18-33-57(76)51-43-46-74-67(48-51)60-29-14-17-39-72(60)83-74/h1-49,77,80H
• InChIKey: TVVLDTBZDHBBDY-UHFFFAOYSA-N
• XLogP: 17.95
• TPSA: 31.21 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1086.38
LogP ≤ 5	17.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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 [13-[3-[2,6-di(dibenzofuran-2-yl)phenyl]carbazol-9-yl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-triphenylsilane?

The IUPAC name of [13-[3-[2,6-di(dibenzofuran-2-yl)phenyl]carbazol-9-yl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-triphenylsilane (CID 164844923) is [13-[3-[2,6-di(dibenzofuran-2-yl)phenyl]carbazol-9-yl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-triphenylsilane.

What is the SMILES notation for [13-[3-[2,6-di(dibenzofuran-2-yl)phenyl]carbazol-9-yl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-triphenylsilane?

The canonical SMILES for [13-[3-[2,6-di(dibenzofuran-2-yl)phenyl]carbazol-9-yl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc3c2C2c4ccccc4C3c3cccc(-n4c5ccccc5c5cc(-c6c(-c7ccc8oc9ccccc9c8c7)cccc6-c6ccc7oc8ccccc8c7c6)ccc54)c32)cc1.

What is the InChIKey of [13-[3-[2,6-di(dibenzofuran-2-yl)phenyl]carbazol-9-yl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-triphenylsilane?

The InChIKey is TVVLDTBZDHBBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H51NO2Si/c1-4-21-53(22-5-1)84(54-23-6-2-7-24-54,55-25-8-3-9-26-55)75-40-20-35-64-77-61-30-10-11-31-62(61)80(79(64)75)78-63(77)34-19-37-70(78)81-68-36-15-12-27-58(68)65-49-52(41-44-69(65)81)76-56(50-42-45-73-66(47-50)59-28-13-16-38-71(59)82-73)32-18-33-57(76)51-43-46-74-67(48-51)60-29-14-17-39-72(60)83-74/h1-49,77,80H.

What are the key properties of [13-[3-[2,6-di(dibenzofuran-2-yl)phenyl]carbazol-9-yl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-triphenylsilane?

[13-[3-[2,6-di(dibenzofuran-2-yl)phenyl]carbazol-9-yl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-triphenylsilane has a molecular weight of 1086.38 g/mol, XLogP of 17.95, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [13-[3-[2,6-di(dibenzofuran-2-yl)phenyl]carbazol-9-yl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-triphenylsilane is sourced from PubChem (CID 164844923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).