[6-[2,6-bis(3,6-difluorocarbazol-9-yl)-10-(5-trimethylsilyl-2-pyridinyl)anthracen-9-yl]-3-pyridinyl]-trimethylsilane

C54H42F4N4Si2 — CID 59357291

About [6-[2,6-bis(3,6-difluorocarbazol-9-yl)-10-(5-trimethylsilyl-2-pyridinyl)anthracen-9-yl]-3-pyridinyl]-trimethylsilane

[6-[2,6-bis(3,6-difluorocarbazol-9-yl)-10-(5-trimethylsilyl-2-pyridinyl)anthracen-9-yl]-3-pyridinyl]-trimethylsilane (PubChem CID 59357291) has the molecular formula C54H42F4N4Si2 and a molecular weight of 879.12 g/mol. Its IUPAC name is [6-[2,6-bis(3,6-difluorocarbazol-9-yl)-10-(5-trimethylsilyl-2-pyridinyl)anthracen-9-yl]-3-pyridinyl]-trimethylsilane.

Molecular Properties

• Compound Name: [6-[2,6-bis(3,6-difluorocarbazol-9-yl)-10-(5-trimethylsilyl-2-pyridinyl)anthracen-9-yl]-3-pyridinyl]-trimethylsilane
• PubChem CID: 59357291
• Molecular Formula: C54H42F4N4Si2
• Molecular Weight: 879.12 g/mol
• Exact Mass: 878.29
• IUPAC Name: [6-[2,6-bis(3,6-difluorocarbazol-9-yl)-10-(5-trimethylsilyl-2-pyridinyl)anthracen-9-yl]-3-pyridinyl]-trimethylsilane
• SMILES: C[Si](C)(C)c1ccc(-c2c3ccc(-n4c5ccc(F)cc5c5cc(F)ccc54)cc3c(-c3ccc([Si](C)(C)C)cn3)c3ccc(-n4c5ccc(F)cc5c5cc(F)ccc54)cc23)nc1
• InChI: InChI=1S/C54H42F4N4Si2/c1-63(2,3)37-13-17-47(59-29-37)53-39-15-11-36(62-51-21-9-33(57)25-43(51)44-26-34(58)10-22-52(44)62)28-46(39)54(48-18-14-38(30-60-48)64(4,5)6)40-16-12-35(27-45(40)53)61-49-19-7-31(55)23-41(49)42-24-32(56)8-20-50(42)61/h7-30H,1-6H3
• InChIKey: YNMRQJPHOLCAEF-UHFFFAOYSA-N
• XLogP: 13.96
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	879.12
LogP ≤ 5	13.96
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 [6-[2,6-bis(3,6-difluorocarbazol-9-yl)-10-(5-trimethylsilyl-2-pyridinyl)anthracen-9-yl]-3-pyridinyl]-trimethylsilane?

The IUPAC name of [6-[2,6-bis(3,6-difluorocarbazol-9-yl)-10-(5-trimethylsilyl-2-pyridinyl)anthracen-9-yl]-3-pyridinyl]-trimethylsilane (CID 59357291) is [6-[2,6-bis(3,6-difluorocarbazol-9-yl)-10-(5-trimethylsilyl-2-pyridinyl)anthracen-9-yl]-3-pyridinyl]-trimethylsilane.

What is the SMILES notation for [6-[2,6-bis(3,6-difluorocarbazol-9-yl)-10-(5-trimethylsilyl-2-pyridinyl)anthracen-9-yl]-3-pyridinyl]-trimethylsilane?

The canonical SMILES for [6-[2,6-bis(3,6-difluorocarbazol-9-yl)-10-(5-trimethylsilyl-2-pyridinyl)anthracen-9-yl]-3-pyridinyl]-trimethylsilane is C[Si](C)(C)c1ccc(-c2c3ccc(-n4c5ccc(F)cc5c5cc(F)ccc54)cc3c(-c3ccc([Si](C)(C)C)cn3)c3ccc(-n4c5ccc(F)cc5c5cc(F)ccc54)cc23)nc1.

What is the InChIKey of [6-[2,6-bis(3,6-difluorocarbazol-9-yl)-10-(5-trimethylsilyl-2-pyridinyl)anthracen-9-yl]-3-pyridinyl]-trimethylsilane?

The InChIKey is YNMRQJPHOLCAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H42F4N4Si2/c1-63(2,3)37-13-17-47(59-29-37)53-39-15-11-36(62-51-21-9-33(57)25-43(51)44-26-34(58)10-22-52(44)62)28-46(39)54(48-18-14-38(30-60-48)64(4,5)6)40-16-12-35(27-45(40)53)61-49-19-7-31(55)23-41(49)42-24-32(56)8-20-50(42)61/h7-30H,1-6H3.

What are the key properties of [6-[2,6-bis(3,6-difluorocarbazol-9-yl)-10-(5-trimethylsilyl-2-pyridinyl)anthracen-9-yl]-3-pyridinyl]-trimethylsilane?

[6-[2,6-bis(3,6-difluorocarbazol-9-yl)-10-(5-trimethylsilyl-2-pyridinyl)anthracen-9-yl]-3-pyridinyl]-trimethylsilane has a molecular weight of 879.12 g/mol, XLogP of 13.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[2,6-bis(3,6-difluorocarbazol-9-yl)-10-(5-trimethylsilyl-2-pyridinyl)anthracen-9-yl]-3-pyridinyl]-trimethylsilane is sourced from PubChem (CID 59357291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).