[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-tris(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane

C75H77N5Si — CID 171590175

About [3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-tris(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane

[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-tris(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane (PubChem CID 171590175) has the molecular formula C75H77N5Si and a molecular weight of 1076.56 g/mol. Its IUPAC name is [3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-tris(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane.

Molecular Properties

• Compound Name: [3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-tris(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane
• PubChem CID: 171590175
• Molecular Formula: C75H77N5Si
• Molecular Weight: 1076.56 g/mol
• Exact Mass: 1075.59
• IUPAC Name: [3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-tris(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane
• SMILES: CC1(C)CCC(C)(C)c2cc([Si](c3cccc(-c4nc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)c3)(c3ccc4c(c3)C(C)(C)CCC4(C)C)c3ccc4c(c3)C(C)(C)CCC4(C)C)ccc21
• InChI: InChI=1S/C75H77N5Si/c1-70(2)38-41-73(7,8)60-45-50(32-35-57(60)70)81(51-33-36-58-61(46-51)74(9,10)42-39-71(58,3)4,52-34-37-59-62(47-52)75(11,12)43-40-72(59,5)6)49-23-21-22-48(44-49)67-76-68(79-63-28-17-13-24-53(63)54-25-14-18-29-64(54)79)78-69(77-67)80-65-30-19-15-26-55(65)56-27-16-20-31-66(56)80/h13-37,44-47H,38-43H2,1-12H3
• InChIKey: QZMWFQRFPWRFNU-UHFFFAOYSA-N
• XLogP: 16.16
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1076.56
LogP ≤ 5	16.16
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-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-tris(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane?

The IUPAC name of [3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-tris(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane (CID 171590175) is [3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-tris(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane.

What is the SMILES notation for [3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-tris(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane?

The canonical SMILES for [3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-tris(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane is CC1(C)CCC(C)(C)c2cc([Si](c3cccc(-c4nc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)c3)(c3ccc4c(c3)C(C)(C)CCC4(C)C)c3ccc4c(c3)C(C)(C)CCC4(C)C)ccc21.

What is the InChIKey of [3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-tris(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane?

The InChIKey is QZMWFQRFPWRFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H77N5Si/c1-70(2)38-41-73(7,8)60-45-50(32-35-57(60)70)81(51-33-36-58-61(46-51)74(9,10)42-39-71(58,3)4,52-34-37-59-62(47-52)75(11,12)43-40-72(59,5)6)49-23-21-22-48(44-49)67-76-68(79-63-28-17-13-24-53(63)54-25-14-18-29-64(54)79)78-69(77-67)80-65-30-19-15-26-55(65)56-27-16-20-31-66(56)80/h13-37,44-47H,38-43H2,1-12H3.

What are the key properties of [3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-tris(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane?

[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-tris(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane has a molecular weight of 1076.56 g/mol, XLogP of 16.16, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-tris(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane is sourced from PubChem (CID 171590175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).