[13-[3-[2,6-bis(3-triphenylsilylphenyl)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]-diphenyl-(4-phenylphenyl)silane

C110H79NSi3 — CID 164844831

About [13-[3-[2,6-bis(3-triphenylsilylphenyl)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]-diphenyl-(4-phenylphenyl)silane

[13-[3-[2,6-bis(3-triphenylsilylphenyl)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]-diphenyl-(4-phenylphenyl)silane (PubChem CID 164844831) has the molecular formula C110H79NSi3 and a molecular weight of 1499.11 g/mol. Its IUPAC name is [13-[3-[2,6-bis(3-triphenylsilylphenyl)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]-diphenyl-(4-phenylphenyl)silane.

Molecular Properties

• Compound Name: [13-[3-[2,6-bis(3-triphenylsilylphenyl)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]-diphenyl-(4-phenylphenyl)silane
• PubChem CID: 164844831
• Molecular Formula: C110H79NSi3
• Molecular Weight: 1499.11 g/mol
• Exact Mass: 1497.55
• IUPAC Name: [13-[3-[2,6-bis(3-triphenylsilylphenyl)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]-diphenyl-(4-phenylphenyl)silane
• SMILES: c1ccc(-c2ccc([Si](c3ccccc3)(c3ccccc3)c3cccc4c3C3c5ccccc5C4c4cccc(-n5c6ccccc6c6cc(-c7c(-c8cccc([Si](c9ccccc9)(c9ccccc9)c9ccccc9)c8)cccc7-c7cccc([Si](c8ccccc8)(c8ccccc8)c8ccccc8)c7)ccc65)c43)cc2)cc1
• InChI: InChI=1S/C110H79NSi3/c1-10-37-78(38-11-1)79-69-72-91(73-70-79)114(89-53-24-8-25-54-89,90-55-26-9-27-56-90)105-68-36-65-100-107-97-60-28-29-61-98(97)110(109(100)105)108-99(107)64-35-67-104(108)111-102-66-31-30-59-96(102)101-77-82(71-74-103(101)111)106-94(80-39-32-57-92(75-80)112(83-41-12-2-13-42-83,84-43-14-3-15-44-84)85-45-16-4-17-46-85)62-34-63-95(106)81-40-33-58-93(76-81)113(86-47-18-5-19-48-86,87-49-20-6-21-50-87)88-51-22-7-23-52-88/h1-77,107,110H
• InChIKey: DOUDDJZHOWLGSD-UHFFFAOYSA-N
• XLogP: 18.57
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 17
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1499.11
LogP ≤ 5	18.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

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-bis(3-triphenylsilylphenyl)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]-diphenyl-(4-phenylphenyl)silane?

The IUPAC name of [13-[3-[2,6-bis(3-triphenylsilylphenyl)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]-diphenyl-(4-phenylphenyl)silane (CID 164844831) is [13-[3-[2,6-bis(3-triphenylsilylphenyl)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]-diphenyl-(4-phenylphenyl)silane.

What is the SMILES notation for [13-[3-[2,6-bis(3-triphenylsilylphenyl)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]-diphenyl-(4-phenylphenyl)silane?

The canonical SMILES for [13-[3-[2,6-bis(3-triphenylsilylphenyl)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]-diphenyl-(4-phenylphenyl)silane is c1ccc(-c2ccc([Si](c3ccccc3)(c3ccccc3)c3cccc4c3C3c5ccccc5C4c4cccc(-n5c6ccccc6c6cc(-c7c(-c8cccc([Si](c9ccccc9)(c9ccccc9)c9ccccc9)c8)cccc7-c7cccc([Si](c8ccccc8)(c8ccccc8)c8ccccc8)c7)ccc65)c43)cc2)cc1.

What is the InChIKey of [13-[3-[2,6-bis(3-triphenylsilylphenyl)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]-diphenyl-(4-phenylphenyl)silane?

The InChIKey is DOUDDJZHOWLGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C110H79NSi3/c1-10-37-78(38-11-1)79-69-72-91(73-70-79)114(89-53-24-8-25-54-89,90-55-26-9-27-56-90)105-68-36-65-100-107-97-60-28-29-61-98(97)110(109(100)105)108-99(107)64-35-67-104(108)111-102-66-31-30-59-96(102)101-77-82(71-74-103(101)111)106-94(80-39-32-57-92(75-80)112(83-41-12-2-13-42-83,84-43-14-3-15-44-84)85-45-16-4-17-46-85)62-34-63-95(106)81-40-33-58-93(76-81)113(86-47-18-5-19-48-86,87-49-20-6-21-50-87)88-51-22-7-23-52-88/h1-77,107,110H.

What are the key properties of [13-[3-[2,6-bis(3-triphenylsilylphenyl)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]-diphenyl-(4-phenylphenyl)silane?

[13-[3-[2,6-bis(3-triphenylsilylphenyl)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]-diphenyl-(4-phenylphenyl)silane has a molecular weight of 1499.11 g/mol, XLogP of 18.57, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [13-[3-[2,6-bis(3-triphenylsilylphenyl)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]-diphenyl-(4-phenylphenyl)silane is sourced from PubChem (CID 164844831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).