[9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(4-tert-butylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane

C70H80N2Si4 — CID 59357156

About [9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(4-tert-butylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane

[9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(4-tert-butylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane (PubChem CID 59357156) has the molecular formula C70H80N2Si4 and a molecular weight of 1061.77 g/mol. Its IUPAC name is [9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(4-tert-butylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane.

Molecular Properties

• Compound Name: [9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(4-tert-butylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane
• PubChem CID: 59357156
• Molecular Formula: C70H80N2Si4
• Molecular Weight: 1061.77 g/mol
• Exact Mass: 1060.54
• IUPAC Name: [9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(4-tert-butylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane
• SMILES: CC(C)(C)c1ccc(-c2c3ccc(-n4c5ccc([Si](C)(C)C)cc5c5cc([Si](C)(C)C)ccc54)cc3c(-c3ccc(C(C)(C)C)cc3)c3ccc(-n4c5ccc([Si](C)(C)C)cc5c5cc([Si](C)(C)C)ccc54)cc23)cc1
• InChI: InChI=1S/C70H80N2Si4/c1-69(2,3)47-23-19-45(20-24-47)67-55-33-27-50(72-65-37-31-53(75(13,14)15)43-59(65)60-44-54(76(16,17)18)32-38-66(60)72)40-62(55)68(46-21-25-48(26-22-46)70(4,5)6)56-34-28-49(39-61(56)67)71-63-35-29-51(73(7,8)9)41-57(63)58-42-52(74(10,11)12)30-36-64(58)71/h19-44H,1-18H3
• InChIKey: YUSLOGSNCYBDEC-UHFFFAOYSA-N
• XLogP: 18.30
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1061.77
LogP ≤ 5	18.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(4-tert-butylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane?

The IUPAC name of [9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(4-tert-butylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane (CID 59357156) is [9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(4-tert-butylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane.

What is the SMILES notation for [9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(4-tert-butylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane?

The canonical SMILES for [9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(4-tert-butylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane is CC(C)(C)c1ccc(-c2c3ccc(-n4c5ccc([Si](C)(C)C)cc5c5cc([Si](C)(C)C)ccc54)cc3c(-c3ccc(C(C)(C)C)cc3)c3ccc(-n4c5ccc([Si](C)(C)C)cc5c5cc([Si](C)(C)C)ccc54)cc23)cc1.

What is the InChIKey of [9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(4-tert-butylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane?

The InChIKey is YUSLOGSNCYBDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H80N2Si4/c1-69(2,3)47-23-19-45(20-24-47)67-55-33-27-50(72-65-37-31-53(75(13,14)15)43-59(65)60-44-54(76(16,17)18)32-38-66(60)72)40-62(55)68(46-21-25-48(26-22-46)70(4,5)6)56-34-28-49(39-61(56)67)71-63-35-29-51(73(7,8)9)41-57(63)58-42-52(74(10,11)12)30-36-64(58)71/h19-44H,1-18H3.

What are the key properties of [9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(4-tert-butylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane?

[9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(4-tert-butylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane has a molecular weight of 1061.77 g/mol, XLogP of 18.30, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(4-tert-butylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane is sourced from PubChem (CID 59357156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).