3-[3,6-bis(2-phenylpropan-2-yl)carbazol-9-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-9-[3-(5,10,10-triphenylsilanthren-5-yl)phenyl]carbazole

C84H66N2Si2 — CID 164787003

About 3-[3,6-bis(2-phenylpropan-2-yl)carbazol-9-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-9-[3-(5,10,10-triphenylsilanthren-5-yl)phenyl]carbazole

3-[3,6-bis(2-phenylpropan-2-yl)carbazol-9-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-9-[3-(5,10,10-triphenylsilanthren-5-yl)phenyl]carbazole (PubChem CID 164787003) has the molecular formula C84H66N2Si2 and a molecular weight of 1164.67 g/mol. Its IUPAC name is 3-[3,6-bis(2-phenylpropan-2-yl)carbazol-9-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-9-[3-(5,10,10-triphenylsilanthren-5-yl)phenyl]carbazole.

Molecular Properties

• Compound Name: 3-[3,6-bis(2-phenylpropan-2-yl)carbazol-9-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-9-[3-(5,10,10-triphenylsilanthren-5-yl)phenyl]carbazole
• PubChem CID: 164787003
• Molecular Formula: C84H66N2Si2
• Molecular Weight: 1164.67 g/mol
• Exact Mass: 1163.51
• IUPAC Name: 3-[3,6-bis(2-phenylpropan-2-yl)carbazol-9-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-9-[3-(5,10,10-triphenylsilanthren-5-yl)phenyl]carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-c2ccc3c(c2)c2cc(-n4c5ccc(C(C)(C)c6ccccc6)cc5c5cc(C(C)(C)c6ccccc6)ccc54)ccc2n3-c2cccc([Si]3(c4ccccc4)c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)c2)c([2H])c1[2H]
• InChI: InChI=1S/C84H66N2Si2/c1-83(2,61-30-13-6-14-31-61)63-47-51-76-72(55-63)73-56-64(84(3,4)62-32-15-7-16-33-62)48-52-77(73)86(76)66-49-53-78-74(58-66)71-54-60(59-28-11-5-12-29-59)46-50-75(71)85(78)65-34-27-41-70(57-65)88(69-39-21-10-22-40-69)81-44-25-23-42-79(81)87(67-35-17-8-18-36-67,68-37-19-9-20-38-68)80-43-24-26-45-82(80)88/h5-58H,1-4H3/i5D,11D,12D,28D,29D
• InChIKey: KOCGPPQWJFSAKZ-SFYPWZEVSA-N
• XLogP: 15.27
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1164.67
LogP ≤ 5	15.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[3,6-bis(2-phenylpropan-2-yl)carbazol-9-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-9-[3-(5,10,10-triphenylsilanthren-5-yl)phenyl]carbazole?

The IUPAC name of 3-[3,6-bis(2-phenylpropan-2-yl)carbazol-9-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-9-[3-(5,10,10-triphenylsilanthren-5-yl)phenyl]carbazole (CID 164787003) is 3-[3,6-bis(2-phenylpropan-2-yl)carbazol-9-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-9-[3-(5,10,10-triphenylsilanthren-5-yl)phenyl]carbazole.

What is the SMILES notation for 3-[3,6-bis(2-phenylpropan-2-yl)carbazol-9-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-9-[3-(5,10,10-triphenylsilanthren-5-yl)phenyl]carbazole?

The canonical SMILES for 3-[3,6-bis(2-phenylpropan-2-yl)carbazol-9-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-9-[3-(5,10,10-triphenylsilanthren-5-yl)phenyl]carbazole is [2H]c1c([2H])c([2H])c(-c2ccc3c(c2)c2cc(-n4c5ccc(C(C)(C)c6ccccc6)cc5c5cc(C(C)(C)c6ccccc6)ccc54)ccc2n3-c2cccc([Si]3(c4ccccc4)c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)c2)c([2H])c1[2H].

What is the InChIKey of 3-[3,6-bis(2-phenylpropan-2-yl)carbazol-9-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-9-[3-(5,10,10-triphenylsilanthren-5-yl)phenyl]carbazole?

The InChIKey is KOCGPPQWJFSAKZ-SFYPWZEVSA-N. The full InChI is InChI=1S/C84H66N2Si2/c1-83(2,61-30-13-6-14-31-61)63-47-51-76-72(55-63)73-56-64(84(3,4)62-32-15-7-16-33-62)48-52-77(73)86(76)66-49-53-78-74(58-66)71-54-60(59-28-11-5-12-29-59)46-50-75(71)85(78)65-34-27-41-70(57-65)88(69-39-21-10-22-40-69)81-44-25-23-42-79(81)87(67-35-17-8-18-36-67,68-37-19-9-20-38-68)80-43-24-26-45-82(80)88/h5-58H,1-4H3/i5D,11D,12D,28D,29D.

What are the key properties of 3-[3,6-bis(2-phenylpropan-2-yl)carbazol-9-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-9-[3-(5,10,10-triphenylsilanthren-5-yl)phenyl]carbazole?

3-[3,6-bis(2-phenylpropan-2-yl)carbazol-9-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-9-[3-(5,10,10-triphenylsilanthren-5-yl)phenyl]carbazole has a molecular weight of 1164.67 g/mol, XLogP of 15.27, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3,6-bis(2-phenylpropan-2-yl)carbazol-9-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-9-[3-(5,10,10-triphenylsilanthren-5-yl)phenyl]carbazole is sourced from PubChem (CID 164787003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).