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

C85H60N2Si2 — CID 164844736

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

(2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[13-[2-[4-phenyl-6-(2-triphenylsilylcarbazol-9-yl)-2-pyridinyl]phenyl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl]silane (PubChem CID 164844736) has the molecular formula C85H60N2Si2 and a molecular weight of 1170.63 g/mol. Its IUPAC name is (2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[13-[2-[4-phenyl-6-(2-triphenylsilylcarbazol-9-yl)-2-pyridinyl]phenyl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl]silane.

Molecular Properties

• Compound Name: (2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[13-[2-[4-phenyl-6-(2-triphenylsilylcarbazol-9-yl)-2-pyridinyl]phenyl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl]silane
• PubChem CID: 164844736
• Molecular Formula: C85H60N2Si2
• Molecular Weight: 1170.63 g/mol
• Exact Mass: 1169.46
• IUPAC Name: (2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[13-[2-[4-phenyl-6-(2-triphenylsilylcarbazol-9-yl)-2-pyridinyl]phenyl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl]silane
• SMILES: [2H]c1c([2H])c([2H])c([Si](c2ccccc2)(c2ccccc2)c2cccc3c2C2c4ccccc4C3c3cccc(-c4ccccc4-c4cc(-c5ccccc5)cc(-n5c6ccccc6c6ccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)cc65)n4)c32)c([2H])c1[2H]
• InChI: InChI=1S/C85H60N2Si2/c1-8-30-59(31-9-1)60-56-77(86-81(57-60)87-78-52-27-26-46-70(78)71-55-54-67(58-79(71)87)88(61-32-10-2-11-33-61,62-34-12-3-13-35-62)63-36-14-4-15-37-63)69-45-23-22-44-68(69)72-49-28-50-75-82-73-47-24-25-48-74(73)85(83(72)75)84-76(82)51-29-53-80(84)89(64-38-16-5-17-39-64,65-40-18-6-19-41-65)66-42-20-7-21-43-66/h1-58,82,85H/i5D,16D,17D,38D,39D
• InChIKey: AFBZIEGIMMHGGR-PFNSXVOSSA-N
• XLogP: 14.92
• TPSA: 17.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1170.63
LogP ≤ 5	14.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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 (2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[13-[2-[4-phenyl-6-(2-triphenylsilylcarbazol-9-yl)-2-pyridinyl]phenyl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl]silane?

The IUPAC name of (2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[13-[2-[4-phenyl-6-(2-triphenylsilylcarbazol-9-yl)-2-pyridinyl]phenyl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl]silane (CID 164844736) is (2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[13-[2-[4-phenyl-6-(2-triphenylsilylcarbazol-9-yl)-2-pyridinyl]phenyl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl]silane.

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

The canonical SMILES for (2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[13-[2-[4-phenyl-6-(2-triphenylsilylcarbazol-9-yl)-2-pyridinyl]phenyl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl]silane is [2H]c1c([2H])c([2H])c([Si](c2ccccc2)(c2ccccc2)c2cccc3c2C2c4ccccc4C3c3cccc(-c4ccccc4-c4cc(-c5ccccc5)cc(-n5c6ccccc6c6ccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)cc65)n4)c32)c([2H])c1[2H].

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

The InChIKey is AFBZIEGIMMHGGR-PFNSXVOSSA-N. The full InChI is InChI=1S/C85H60N2Si2/c1-8-30-59(31-9-1)60-56-77(86-81(57-60)87-78-52-27-26-46-70(78)71-55-54-67(58-79(71)87)88(61-32-10-2-11-33-61,62-34-12-3-13-35-62)63-36-14-4-15-37-63)69-45-23-22-44-68(69)72-49-28-50-75-82-73-47-24-25-48-74(73)85(83(72)75)84-76(82)51-29-53-80(84)89(64-38-16-5-17-39-64,65-40-18-6-19-41-65)66-42-20-7-21-43-66/h1-58,82,85H/i5D,16D,17D,38D,39D.

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

(2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[13-[2-[4-phenyl-6-(2-triphenylsilylcarbazol-9-yl)-2-pyridinyl]phenyl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl]silane has a molecular weight of 1170.63 g/mol, XLogP of 14.92, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[13-[2-[4-phenyl-6-(2-triphenylsilylcarbazol-9-yl)-2-pyridinyl]phenyl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl]silane is sourced from PubChem (CID 164844736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).