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

C64H68N2Si4 — CID 59357271

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

[9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(2-methylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane (PubChem CID 59357271) has the molecular formula C64H68N2Si4 and a molecular weight of 977.61 g/mol. Its IUPAC name is [9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(2-methylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane.

Molecular Properties

• Compound Name: [9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(2-methylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane
• PubChem CID: 59357271
• Molecular Formula: C64H68N2Si4
• Molecular Weight: 977.61 g/mol
• Exact Mass: 976.45
• IUPAC Name: [9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(2-methylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane
• SMILES: Cc1ccccc1-c1c2ccc(-n3c4ccc([Si](C)(C)C)cc4c4cc([Si](C)(C)C)ccc43)cc2c(-c2ccccc2C)c2ccc(-n3c4ccc([Si](C)(C)C)cc4c4cc([Si](C)(C)C)ccc43)cc12
• InChI: InChI=1S/C64H68N2Si4/c1-41-19-15-17-21-49(41)63-51-29-23-44(66-61-33-27-47(69(9,10)11)39-55(61)56-40-48(70(12,13)14)28-34-62(56)66)36-58(51)64(50-22-18-16-20-42(50)2)52-30-24-43(35-57(52)63)65-59-31-25-45(67(3,4)5)37-53(59)54-38-46(68(6,7)8)26-32-60(54)65/h15-40H,1-14H3
• InChIKey: CCSSMKONUFIMAQ-UHFFFAOYSA-N
• XLogP: 16.32
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	977.61
LogP ≤ 5	16.32
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(2-methylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane?

The IUPAC name of [9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(2-methylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane (CID 59357271) is [9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(2-methylphenyl)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(2-methylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane?

The canonical SMILES for [9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(2-methylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane is Cc1ccccc1-c1c2ccc(-n3c4ccc([Si](C)(C)C)cc4c4cc([Si](C)(C)C)ccc43)cc2c(-c2ccccc2C)c2ccc(-n3c4ccc([Si](C)(C)C)cc4c4cc([Si](C)(C)C)ccc43)cc12.

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

The InChIKey is CCSSMKONUFIMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H68N2Si4/c1-41-19-15-17-21-49(41)63-51-29-23-44(66-61-33-27-47(69(9,10)11)39-55(61)56-40-48(70(12,13)14)28-34-62(56)66)36-58(51)64(50-22-18-16-20-42(50)2)52-30-24-43(35-57(52)63)65-59-31-25-45(67(3,4)5)37-53(59)54-38-46(68(6,7)8)26-32-60(54)65/h15-40H,1-14H3.

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

[9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(2-methylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane has a molecular weight of 977.61 g/mol, XLogP of 16.32, 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(2-methylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane is sourced from PubChem (CID 59357271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).