[3-[4-(4b,8a-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)-6-benzo[b]carbazol-5-yl-1,3,5-triazin-2-yl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane

C56H46N6Si — CID 177083288

About [3-[4-(4b,8a-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)-6-benzo[b]carbazol-5-yl-1,3,5-triazin-2-yl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane

[3-[4-(4b,8a-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)-6-benzo[b]carbazol-5-yl-1,3,5-triazin-2-yl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane (PubChem CID 177083288) has the molecular formula C56H46N6Si and a molecular weight of 846.20 g/mol. Its IUPAC name is [3-[4-(4b,8a-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)-6-benzo[b]carbazol-5-yl-1,3,5-triazin-2-yl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane.

Molecular Properties

• Compound Name: [3-[4-(4b,8a-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)-6-benzo[b]carbazol-5-yl-1,3,5-triazin-2-yl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane
• PubChem CID: 177083288
• Molecular Formula: C56H46N6Si
• Molecular Weight: 846.20 g/mol
• Exact Mass: 845.45
• IUPAC Name: [3-[4-(4b,8a-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)-6-benzo[b]carbazol-5-yl-1,3,5-triazin-2-yl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane
• SMILES: [2H]c1c([2H])c([2H])c([Si](c2cccc(-c3nc(N4c5ncccc5C5(C)CCCCC45C)nc(-n4c5ccccc5c5cc6ccccc6cc54)n3)c2)(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H]
• InChI: InChI=1S/C56H46N6Si/c1-55-33-16-17-34-56(55,2)62(52-48(55)31-19-35-57-52)54-59-51(58-53(60-54)61-49-32-15-14-30-46(49)47-37-39-20-12-13-21-40(39)38-50(47)61)41-22-18-29-45(36-41)63(42-23-6-3-7-24-42,43-25-8-4-9-26-43)44-27-10-5-11-28-44/h3-15,18-32,35-38H,16-17,33-34H2,1-2H3/i3D,4D,5D,6D,7D,8D,9D,10D,11D,23D,24D,25D,26D,27D,28D
• InChIKey: FEAFSWOBLWMJER-XOAWLWAYSA-N
• XLogP: 10.30
• TPSA: 59.73 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	846.20
LogP ≤ 5	10.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-(4b,8a-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)-6-benzo[b]carbazol-5-yl-1,3,5-triazin-2-yl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane?

The IUPAC name of [3-[4-(4b,8a-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)-6-benzo[b]carbazol-5-yl-1,3,5-triazin-2-yl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane (CID 177083288) is [3-[4-(4b,8a-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)-6-benzo[b]carbazol-5-yl-1,3,5-triazin-2-yl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane.

What is the SMILES notation for [3-[4-(4b,8a-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)-6-benzo[b]carbazol-5-yl-1,3,5-triazin-2-yl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane?

The canonical SMILES for [3-[4-(4b,8a-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)-6-benzo[b]carbazol-5-yl-1,3,5-triazin-2-yl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane is [2H]c1c([2H])c([2H])c([Si](c2cccc(-c3nc(N4c5ncccc5C5(C)CCCCC45C)nc(-n4c5ccccc5c5cc6ccccc6cc54)n3)c2)(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H].

What is the InChIKey of [3-[4-(4b,8a-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)-6-benzo[b]carbazol-5-yl-1,3,5-triazin-2-yl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane?

The InChIKey is FEAFSWOBLWMJER-XOAWLWAYSA-N. The full InChI is InChI=1S/C56H46N6Si/c1-55-33-16-17-34-56(55,2)62(52-48(55)31-19-35-57-52)54-59-51(58-53(60-54)61-49-32-15-14-30-46(49)47-37-39-20-12-13-21-40(39)38-50(47)61)41-22-18-29-45(36-41)63(42-23-6-3-7-24-42,43-25-8-4-9-26-43)44-27-10-5-11-28-44/h3-15,18-32,35-38H,16-17,33-34H2,1-2H3/i3D,4D,5D,6D,7D,8D,9D,10D,11D,23D,24D,25D,26D,27D,28D.

What are the key properties of [3-[4-(4b,8a-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)-6-benzo[b]carbazol-5-yl-1,3,5-triazin-2-yl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane?

[3-[4-(4b,8a-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)-6-benzo[b]carbazol-5-yl-1,3,5-triazin-2-yl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane has a molecular weight of 846.20 g/mol, XLogP of 10.30, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[4-(4b,8a-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)-6-benzo[b]carbazol-5-yl-1,3,5-triazin-2-yl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane is sourced from PubChem (CID 177083288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).