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

C58H42F12N4Si2 — CID 59357121

IUPAC[6-[2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-10-(5-trimethylsilyl-2-pyridinyl)anthracen-9-yl]-3-pyridinyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(-c2c3ccc(-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)cc3c(-c3ccc([Si](C)(C)C)cn3)c3ccc(-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)cc23)nc1
InChIInChI=1S/C58H42F12N4Si2/c1-75(2,3)37-13-17-47(71-29-37)53-39-15-11-36(74-51-21-9-33(57(65,66)67)25-43(51)44-26-34(58(68,69)70)10-22-52(44)74)28-46(39)54(48-18-14-38(30-72-48)76(4,5)6)40-16-12-35(27-45(40)53)73-49-19-7-31(55(59,60)61)23-41(49)42-24-32(56(62,63)64)8-20-50(42)73/h7-30H,1-6H3
InChIKeyNWIIIPXFUAYJJO-UHFFFAOYSA-N
MW1079.15 g/mol
LogP17.48
Rot. Bonds6

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

[6-[2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-10-(5-trimethylsilyl-2-pyridinyl)anthracen-9-yl]-3-pyridinyl]-trimethylsilane (PubChem CID 59357121) has the molecular formula C58H42F12N4Si2 and a molecular weight of 1079.15 g/mol. Its IUPAC name is [6-[2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-10-(5-trimethylsilyl-2-pyridinyl)anthracen-9-yl]-3-pyridinyl]-trimethylsilane.

Molecular Properties

Compound Name[6-[2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-10-(5-trimethylsilyl-2-pyridinyl)anthracen-9-yl]-3-pyridinyl]-trimethylsilane
PubChem CID59357121
Molecular FormulaC58H42F12N4Si2
Molecular Weight1079.15 g/mol
Exact Mass1078.28
IUPAC Name[6-[2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-10-(5-trimethylsilyl-2-pyridinyl)anthracen-9-yl]-3-pyridinyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(-c2c3ccc(-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)cc3c(-c3ccc([Si](C)(C)C)cn3)c3ccc(-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)cc23)nc1
InChIInChI=1S/C58H42F12N4Si2/c1-75(2,3)37-13-17-47(71-29-37)53-39-15-11-36(74-51-21-9-33(57(65,66)67)25-43(51)44-26-34(58(68,69)70)10-22-52(44)74)28-46(39)54(48-18-14-38(30-72-48)76(4,5)6)40-16-12-35(27-45(40)53)73-49-19-7-31(55(59,60)61)23-41(49)42-24-32(56(62,63)64)8-20-50(42)73/h7-30H,1-6H3
InChIKeyNWIIIPXFUAYJJO-UHFFFAOYSA-N
XLogP17.48
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001079.15
LogP ≤ 517.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-[2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-10-(5-trimethylsilyl-2-pyridinyl)anthracen-9-yl]-3-pyridinyl]-trimethylsilane?
The IUPAC name of [6-[2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-10-(5-trimethylsilyl-2-pyridinyl)anthracen-9-yl]-3-pyridinyl]-trimethylsilane (CID 59357121) is [6-[2,6-bis[3,6-bis(trifluoromethyl)carbazol-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-bis(trifluoromethyl)carbazol-9-yl]-10-(5-trimethylsilyl-2-pyridinyl)anthracen-9-yl]-3-pyridinyl]-trimethylsilane?
The canonical SMILES for [6-[2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-10-(5-trimethylsilyl-2-pyridinyl)anthracen-9-yl]-3-pyridinyl]-trimethylsilane is C[Si](C)(C)c1ccc(-c2c3ccc(-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)cc3c(-c3ccc([Si](C)(C)C)cn3)c3ccc(-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)cc23)nc1.
What is the InChIKey of [6-[2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-10-(5-trimethylsilyl-2-pyridinyl)anthracen-9-yl]-3-pyridinyl]-trimethylsilane?
The InChIKey is NWIIIPXFUAYJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42F12N4Si2/c1-75(2,3)37-13-17-47(71-29-37)53-39-15-11-36(74-51-21-9-33(57(65,66)67)25-43(51)44-26-34(58(68,69)70)10-22-52(44)74)28-46(39)54(48-18-14-38(30-72-48)76(4,5)6)40-16-12-35(27-45(40)53)73-49-19-7-31(55(59,60)61)23-41(49)42-24-32(56(62,63)64)8-20-50(42)73/h7-30H,1-6H3.
What are the key properties of [6-[2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-10-(5-trimethylsilyl-2-pyridinyl)anthracen-9-yl]-3-pyridinyl]-trimethylsilane?
[6-[2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-10-(5-trimethylsilyl-2-pyridinyl)anthracen-9-yl]-3-pyridinyl]-trimethylsilane has a molecular weight of 1079.15 g/mol, XLogP of 17.48, 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-bis(trifluoromethyl)carbazol-9-yl]-10-(5-trimethylsilyl-2-pyridinyl)anthracen-9-yl]-3-pyridinyl]-trimethylsilane is sourced from PubChem (CID 59357121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).