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

C76H70F6N2Si4 — CID 59357292

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

[9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis[4-[4-(trifluoromethyl)phenyl]phenyl]anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane (PubChem CID 59357292) has the molecular formula C76H70F6N2Si4 and a molecular weight of 1237.74 g/mol. Its IUPAC name is [9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis[4-[4-(trifluoromethyl)phenyl]phenyl]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-[4-(trifluoromethyl)phenyl]phenyl]anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane
• PubChem CID: 59357292
• Molecular Formula: C76H70F6N2Si4
• Molecular Weight: 1237.74 g/mol
• Exact Mass: 1236.45
• IUPAC Name: [9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis[4-[4-(trifluoromethyl)phenyl]phenyl]anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane
• SMILES: C[Si](C)(C)c1ccc2c(c1)c1cc([Si](C)(C)C)ccc1n2-c1ccc2c(-c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)c3cc(-n4c5ccc([Si](C)(C)C)cc5c5cc([Si](C)(C)C)ccc54)ccc3c(-c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)c2c1
• InChI: InChI=1S/C76H70F6N2Si4/c1-85(2,3)57-31-37-69-63(43-57)64-44-58(86(4,5)6)32-38-70(64)83(69)55-29-35-61-67(41-55)73(51-17-13-47(14-18-51)49-21-25-53(26-22-49)75(77,78)79)62-36-30-56(42-68(62)74(61)52-19-15-48(16-20-52)50-23-27-54(28-24-50)76(80,81)82)84-71-39-33-59(87(7,8)9)45-65(71)66-46-60(88(10,11)12)34-40-72(66)84/h13-46H,1-12H3
• InChIKey: LJZXQZMYYFLGFL-UHFFFAOYSA-N
• XLogP: 21.07
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1237.74
LogP ≤ 5	21.07
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-[4-(trifluoromethyl)phenyl]phenyl]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-[4-(trifluoromethyl)phenyl]phenyl]anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane (CID 59357292) is [9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis[4-[4-(trifluoromethyl)phenyl]phenyl]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-[4-(trifluoromethyl)phenyl]phenyl]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-[4-(trifluoromethyl)phenyl]phenyl]anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane is C[Si](C)(C)c1ccc2c(c1)c1cc([Si](C)(C)C)ccc1n2-c1ccc2c(-c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)c3cc(-n4c5ccc([Si](C)(C)C)cc5c5cc([Si](C)(C)C)ccc54)ccc3c(-c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)c2c1.

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

The InChIKey is LJZXQZMYYFLGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H70F6N2Si4/c1-85(2,3)57-31-37-69-63(43-57)64-44-58(86(4,5)6)32-38-70(64)83(69)55-29-35-61-67(41-55)73(51-17-13-47(14-18-51)49-21-25-53(26-22-49)75(77,78)79)62-36-30-56(42-68(62)74(61)52-19-15-48(16-20-52)50-23-27-54(28-24-50)76(80,81)82)84-71-39-33-59(87(7,8)9)45-65(71)66-46-60(88(10,11)12)34-40-72(66)84/h13-46H,1-12H3.

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

[9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis[4-[4-(trifluoromethyl)phenyl]phenyl]anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane has a molecular weight of 1237.74 g/mol, XLogP of 21.07, 10 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-[4-(trifluoromethyl)phenyl]phenyl]anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane is sourced from PubChem (CID 59357292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).