[3-[4-[2-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-6-carbazol-9-yl-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane

C63H41N5Si — CID 171748640

About [3-[4-[2-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-6-carbazol-9-yl-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane

[3-[4-[2-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-6-carbazol-9-yl-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane (PubChem CID 171748640) has the molecular formula C63H41N5Si and a molecular weight of 915.26 g/mol. Its IUPAC name is [3-[4-[2-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-6-carbazol-9-yl-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane.

Molecular Properties

• Compound Name: [3-[4-[2-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-6-carbazol-9-yl-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane
• PubChem CID: 171748640
• Molecular Formula: C63H41N5Si
• Molecular Weight: 915.26 g/mol
• Exact Mass: 914.43
• IUPAC Name: [3-[4-[2-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-6-carbazol-9-yl-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane
• SMILES: [2H]c1c([2H])c([2H])c([Si](c2c([2H])c([2H])c([2H])c([2H])c2[2H])(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c(-c3nc(-c4ccccc4-c4ccc5c(c4)c4cccc6c7ccccc7n5c64)nc(-n4c5ccccc5c5ccccc54)n3)c2[2H])c([2H])c1[2H]
• InChI: InChI=1S/C63H41N5Si/c1-4-21-44(22-5-1)69(45-23-6-2-7-24-45,46-25-8-3-9-26-46)47-27-18-20-43(40-47)61-64-62(66-63(65-61)68-57-36-16-12-29-49(57)50-30-13-17-37-58(50)68)54-32-11-10-28-48(54)42-38-39-59-55(41-42)53-34-19-33-52-51-31-14-15-35-56(51)67(59)60(52)53/h1-41H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,18D,20D,21D,22D,23D,24D,25D,26D,27D,40D
• InChIKey: OZXMLDVRLFMQDW-VWKVWUFSSA-N
• XLogP: 12.50
• TPSA: 48.01 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	915.26
LogP ≤ 5	12.50
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 [3-[4-[2-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-6-carbazol-9-yl-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane?

The IUPAC name of [3-[4-[2-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-6-carbazol-9-yl-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane (CID 171748640) is [3-[4-[2-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-6-carbazol-9-yl-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane.

What is the SMILES notation for [3-[4-[2-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-6-carbazol-9-yl-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane?

The canonical SMILES for [3-[4-[2-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-6-carbazol-9-yl-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane is [2H]c1c([2H])c([2H])c([Si](c2c([2H])c([2H])c([2H])c([2H])c2[2H])(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c(-c3nc(-c4ccccc4-c4ccc5c(c4)c4cccc6c7ccccc7n5c64)nc(-n4c5ccccc5c5ccccc54)n3)c2[2H])c([2H])c1[2H].

What is the InChIKey of [3-[4-[2-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-6-carbazol-9-yl-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane?

The InChIKey is OZXMLDVRLFMQDW-VWKVWUFSSA-N. The full InChI is InChI=1S/C63H41N5Si/c1-4-21-44(22-5-1)69(45-23-6-2-7-24-45,46-25-8-3-9-26-46)47-27-18-20-43(40-47)61-64-62(66-63(65-61)68-57-36-16-12-29-49(57)50-30-13-17-37-58(50)68)54-32-11-10-28-48(54)42-38-39-59-55(41-42)53-34-19-33-52-51-31-14-15-35-56(51)67(59)60(52)53/h1-41H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,18D,20D,21D,22D,23D,24D,25D,26D,27D,40D.

What are the key properties of [3-[4-[2-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-6-carbazol-9-yl-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane?

[3-[4-[2-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-6-carbazol-9-yl-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane has a molecular weight of 915.26 g/mol, XLogP of 12.50, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[4-[2-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-6-carbazol-9-yl-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane is sourced from PubChem (CID 171748640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).