[4-carbazol-9-yl-6-[13-[diphenyl-(4-phenylphenyl)silyl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazin-2-yl]-triphenylsilane

C77H54N4Si2 — CID 164844779

About [4-carbazol-9-yl-6-[13-[diphenyl-(4-phenylphenyl)silyl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazin-2-yl]-triphenylsilane

[4-carbazol-9-yl-6-[13-[diphenyl-(4-phenylphenyl)silyl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazin-2-yl]-triphenylsilane (PubChem CID 164844779) has the molecular formula C77H54N4Si2 and a molecular weight of 1091.48 g/mol. Its IUPAC name is [4-carbazol-9-yl-6-[13-[diphenyl-(4-phenylphenyl)silyl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazin-2-yl]-triphenylsilane.

Molecular Properties

• Compound Name: [4-carbazol-9-yl-6-[13-[diphenyl-(4-phenylphenyl)silyl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazin-2-yl]-triphenylsilane
• PubChem CID: 164844779
• Molecular Formula: C77H54N4Si2
• Molecular Weight: 1091.48 g/mol
• Exact Mass: 1090.39
• IUPAC Name: [4-carbazol-9-yl-6-[13-[diphenyl-(4-phenylphenyl)silyl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazin-2-yl]-triphenylsilane
• SMILES: c1ccc(-c2ccc([Si](c3ccccc3)(c3ccccc3)c3cccc4c3C3c5ccccc5C4c4cccc(-c5nc(-n6c7ccccc7c7ccccc76)nc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)n5)c43)cc2)cc1
• InChI: InChI=1S/C77H54N4Si2/c1-7-27-53(28-8-1)54-49-51-60(52-50-54)82(55-29-9-2-10-30-55,56-31-11-3-12-32-56)70-48-26-44-66-71-63-41-19-20-42-64(63)74(73(66)70)72-65(71)43-25-45-67(72)75-78-76(81-68-46-23-21-39-61(68)62-40-22-24-47-69(62)81)80-77(79-75)83(57-33-13-4-14-34-57,58-35-15-5-16-36-58)59-37-17-6-18-38-59/h1-52,71,74H
• InChIKey: YFGFRWXICFSTCP-UHFFFAOYSA-N
• XLogP: 12.04
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1091.48
LogP ≤ 5	12.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 [4-carbazol-9-yl-6-[13-[diphenyl-(4-phenylphenyl)silyl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazin-2-yl]-triphenylsilane?

The IUPAC name of [4-carbazol-9-yl-6-[13-[diphenyl-(4-phenylphenyl)silyl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazin-2-yl]-triphenylsilane (CID 164844779) is [4-carbazol-9-yl-6-[13-[diphenyl-(4-phenylphenyl)silyl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazin-2-yl]-triphenylsilane.

What is the SMILES notation for [4-carbazol-9-yl-6-[13-[diphenyl-(4-phenylphenyl)silyl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazin-2-yl]-triphenylsilane?

The canonical SMILES for [4-carbazol-9-yl-6-[13-[diphenyl-(4-phenylphenyl)silyl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazin-2-yl]-triphenylsilane is c1ccc(-c2ccc([Si](c3ccccc3)(c3ccccc3)c3cccc4c3C3c5ccccc5C4c4cccc(-c5nc(-n6c7ccccc7c7ccccc76)nc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)n5)c43)cc2)cc1.

What is the InChIKey of [4-carbazol-9-yl-6-[13-[diphenyl-(4-phenylphenyl)silyl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazin-2-yl]-triphenylsilane?

The InChIKey is YFGFRWXICFSTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H54N4Si2/c1-7-27-53(28-8-1)54-49-51-60(52-50-54)82(55-29-9-2-10-30-55,56-31-11-3-12-32-56)70-48-26-44-66-71-63-41-19-20-42-64(63)74(73(66)70)72-65(71)43-25-45-67(72)75-78-76(81-68-46-23-21-39-61(68)62-40-22-24-47-69(62)81)80-77(79-75)83(57-33-13-4-14-34-57,58-35-15-5-16-36-58)59-37-17-6-18-38-59/h1-52,71,74H.

What are the key properties of [4-carbazol-9-yl-6-[13-[diphenyl-(4-phenylphenyl)silyl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazin-2-yl]-triphenylsilane?

[4-carbazol-9-yl-6-[13-[diphenyl-(4-phenylphenyl)silyl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazin-2-yl]-triphenylsilane has a molecular weight of 1091.48 g/mol, XLogP of 12.04, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-carbazol-9-yl-6-[13-[diphenyl-(4-phenylphenyl)silyl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazin-2-yl]-triphenylsilane is sourced from PubChem (CID 164844779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).