[9-[6-(3,6-dimethylcarbazol-9-yl)-9,10-di(quinolin-2-yl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane

C64H54N4Si2 — CID 163850246

About [9-[6-(3,6-dimethylcarbazol-9-yl)-9,10-di(quinolin-2-yl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane

[9-[6-(3,6-dimethylcarbazol-9-yl)-9,10-di(quinolin-2-yl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane (PubChem CID 163850246) has the molecular formula C64H54N4Si2 and a molecular weight of 935.34 g/mol. Its IUPAC name is [9-[6-(3,6-dimethylcarbazol-9-yl)-9,10-di(quinolin-2-yl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane.

Molecular Properties

• Compound Name: [9-[6-(3,6-dimethylcarbazol-9-yl)-9,10-di(quinolin-2-yl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane
• PubChem CID: 163850246
• Molecular Formula: C64H54N4Si2
• Molecular Weight: 935.34 g/mol
• Exact Mass: 934.39
• IUPAC Name: [9-[6-(3,6-dimethylcarbazol-9-yl)-9,10-di(quinolin-2-yl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane
• SMILES: Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc2c(-c3ccc4ccccc4n3)c3cc(-n4c5ccc([Si](C)(C)C)cc5c5cc([Si](C)(C)C)ccc54)ccc3c(-c3ccc4ccccc4n3)c2c1
• InChI: InChI=1S/C64H54N4Si2/c1-39-17-29-59-49(33-39)50-34-40(2)18-30-60(50)67(59)43-21-25-47-53(35-43)63(57-27-19-41-13-9-11-15-55(41)65-57)48-26-22-44(36-54(48)64(47)58-28-20-42-14-10-12-16-56(42)66-58)68-61-31-23-45(69(3,4)5)37-51(61)52-38-46(70(6,7)8)24-32-62(52)68/h9-38H,1-8H3
• InChIKey: OTTGTUQSSHPTJS-UHFFFAOYSA-N
• XLogP: 16.32
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	935.34
LogP ≤ 5	16.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-dimethylcarbazol-9-yl)-9,10-di(quinolin-2-yl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane?

The IUPAC name of [9-[6-(3,6-dimethylcarbazol-9-yl)-9,10-di(quinolin-2-yl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane (CID 163850246) is [9-[6-(3,6-dimethylcarbazol-9-yl)-9,10-di(quinolin-2-yl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane.

What is the SMILES notation for [9-[6-(3,6-dimethylcarbazol-9-yl)-9,10-di(quinolin-2-yl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane?

The canonical SMILES for [9-[6-(3,6-dimethylcarbazol-9-yl)-9,10-di(quinolin-2-yl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc2c(-c3ccc4ccccc4n3)c3cc(-n4c5ccc([Si](C)(C)C)cc5c5cc([Si](C)(C)C)ccc54)ccc3c(-c3ccc4ccccc4n3)c2c1.

What is the InChIKey of [9-[6-(3,6-dimethylcarbazol-9-yl)-9,10-di(quinolin-2-yl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane?

The InChIKey is OTTGTUQSSHPTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H54N4Si2/c1-39-17-29-59-49(33-39)50-34-40(2)18-30-60(50)67(59)43-21-25-47-53(35-43)63(57-27-19-41-13-9-11-15-55(41)65-57)48-26-22-44(36-54(48)64(47)58-28-20-42-14-10-12-16-56(42)66-58)68-61-31-23-45(69(3,4)5)37-51(61)52-38-46(70(6,7)8)24-32-62(52)68/h9-38H,1-8H3.

What are the key properties of [9-[6-(3,6-dimethylcarbazol-9-yl)-9,10-di(quinolin-2-yl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane?

[9-[6-(3,6-dimethylcarbazol-9-yl)-9,10-di(quinolin-2-yl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane has a molecular weight of 935.34 g/mol, XLogP of 16.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [9-[6-(3,6-dimethylcarbazol-9-yl)-9,10-di(quinolin-2-yl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane is sourced from PubChem (CID 163850246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).