[13-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl]-diphenyl-(3-phenylphenyl)silane

C65H44N4Si — CID 164844659

About [13-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl]-diphenyl-(3-phenylphenyl)silane

[13-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl]-diphenyl-(3-phenylphenyl)silane (PubChem CID 164844659) has the molecular formula C65H44N4Si and a molecular weight of 909.18 g/mol. Its IUPAC name is [13-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl]-diphenyl-(3-phenylphenyl)silane.

Molecular Properties

• Compound Name: [13-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl]-diphenyl-(3-phenylphenyl)silane
• PubChem CID: 164844659
• Molecular Formula: C65H44N4Si
• Molecular Weight: 909.18 g/mol
• Exact Mass: 908.33
• IUPAC Name: [13-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl]-diphenyl-(3-phenylphenyl)silane
• SMILES: c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc4c3C3c5ccccc5C4c4cccc(-c5nc(-c6ccccc6)nc(-n6c7ccccc7c7ccccc76)n5)c43)c2)cc1
• InChI: InChI=1S/C65H44N4Si/c1-5-22-43(23-6-1)45-26-19-31-48(42-45)70(46-27-9-3-10-28-46,47-29-11-4-12-30-47)58-41-21-37-54-59-51-34-13-14-35-52(51)62(61(54)58)60-53(59)36-20-38-55(60)64-66-63(44-24-7-2-8-25-44)67-65(68-64)69-56-39-17-15-32-49(56)50-33-16-18-40-57(50)69/h1-42,59,62H
• InChIKey: NFEIEZZRSWWIPM-UHFFFAOYSA-N
• XLogP: 12.33
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	909.18
LogP ≤ 5	12.33
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 [13-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl]-diphenyl-(3-phenylphenyl)silane?

The IUPAC name of [13-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl]-diphenyl-(3-phenylphenyl)silane (CID 164844659) is [13-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl]-diphenyl-(3-phenylphenyl)silane.

What is the SMILES notation for [13-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl]-diphenyl-(3-phenylphenyl)silane?

The canonical SMILES for [13-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl]-diphenyl-(3-phenylphenyl)silane is c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc4c3C3c5ccccc5C4c4cccc(-c5nc(-c6ccccc6)nc(-n6c7ccccc7c7ccccc76)n5)c43)c2)cc1.

What is the InChIKey of [13-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl]-diphenyl-(3-phenylphenyl)silane?

The InChIKey is NFEIEZZRSWWIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H44N4Si/c1-5-22-43(23-6-1)45-26-19-31-48(42-45)70(46-27-9-3-10-28-46,47-29-11-4-12-30-47)58-41-21-37-54-59-51-34-13-14-35-52(51)62(61(54)58)60-53(59)36-20-38-55(60)64-66-63(44-24-7-2-8-25-44)67-65(68-64)69-56-39-17-15-32-49(56)50-33-16-18-40-57(50)69/h1-42,59,62H.

What are the key properties of [13-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl]-diphenyl-(3-phenylphenyl)silane?

[13-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl]-diphenyl-(3-phenylphenyl)silane has a molecular weight of 909.18 g/mol, XLogP of 12.33, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [13-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl]-diphenyl-(3-phenylphenyl)silane is sourced from PubChem (CID 164844659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).