(4-carbazol-9-ylphenyl)-[5-[2-[(4-carbazol-9-ylphenyl)-diphenylsilyl]-6-methylphenoxy]-3-methyl-2-(6H-pyrido[2,1-a]isoindol-5-ium-10-yloxy)phenyl]-diphenylsilane

C86H64N3O2Si2+ — CID 58722659

IUPAC(4-carbazol-9-ylphenyl)-[5-[2-[(4-carbazol-9-ylphenyl)-diphenylsilyl]-6-methylphenoxy]-3-methyl-2-(6H-pyrido[2,1-a]isoindol-5-ium-10-yloxy)phenyl]-diphenylsilane
SMILESCc1cccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1Oc1cc(C)c(Oc2cccc3c2-c2cccc[n+]2C3)c([Si](c2ccccc2)(c2ccccc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1
InChIInChI=1S/C86H64N3O2Si2/c1-60-27-25-47-82(92(66-29-7-3-8-30-66,67-31-9-4-10-32-67)70-52-48-63(49-53-70)88-76-41-19-15-37-72(76)73-38-16-20-42-77(73)88)85(60)90-65-57-61(2)86(91-81-46-26-28-62-59-87-56-24-23-45-80(87)84(62)81)83(58-65)93(68-33-11-5-12-34-68,69-35-13-6-14-36-69)71-54-50-64(51-55-71)89-78-43-21-17-39-74(78)75-40-18-22-44-79(75)89/h3-58H,59H2,1-2H3/q+1
InChIKeyCISAUZFOOVUHLX-UHFFFAOYSA-N
MW1227.65 g/mol
LogP15.15
Rot. Bonds14

About (4-carbazol-9-ylphenyl)-[5-[2-[(4-carbazol-9-ylphenyl)-diphenylsilyl]-6-methylphenoxy]-3-methyl-2-(6H-pyrido[2,1-a]isoindol-5-ium-10-yloxy)phenyl]-diphenylsilane

(4-carbazol-9-ylphenyl)-[5-[2-[(4-carbazol-9-ylphenyl)-diphenylsilyl]-6-methylphenoxy]-3-methyl-2-(6H-pyrido[2,1-a]isoindol-5-ium-10-yloxy)phenyl]-diphenylsilane (PubChem CID 58722659) has the molecular formula C86H64N3O2Si2+ and a molecular weight of 1227.65 g/mol. Its IUPAC name is (4-carbazol-9-ylphenyl)-[5-[2-[(4-carbazol-9-ylphenyl)-diphenylsilyl]-6-methylphenoxy]-3-methyl-2-(6H-pyrido[2,1-a]isoindol-5-ium-10-yloxy)phenyl]-diphenylsilane.

Molecular Properties

Compound Name(4-carbazol-9-ylphenyl)-[5-[2-[(4-carbazol-9-ylphenyl)-diphenylsilyl]-6-methylphenoxy]-3-methyl-2-(6H-pyrido[2,1-a]isoindol-5-ium-10-yloxy)phenyl]-diphenylsilane
PubChem CID58722659
Molecular FormulaC86H64N3O2Si2+
Molecular Weight1227.65 g/mol
Exact Mass1226.45
IUPAC Name(4-carbazol-9-ylphenyl)-[5-[2-[(4-carbazol-9-ylphenyl)-diphenylsilyl]-6-methylphenoxy]-3-methyl-2-(6H-pyrido[2,1-a]isoindol-5-ium-10-yloxy)phenyl]-diphenylsilane
SMILESCc1cccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1Oc1cc(C)c(Oc2cccc3c2-c2cccc[n+]2C3)c([Si](c2ccccc2)(c2ccccc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1
InChIInChI=1S/C86H64N3O2Si2/c1-60-27-25-47-82(92(66-29-7-3-8-30-66,67-31-9-4-10-32-67)70-52-48-63(49-53-70)88-76-41-19-15-37-72(76)73-38-16-20-42-77(73)88)85(60)90-65-57-61(2)86(91-81-46-26-28-62-59-87-56-24-23-45-80(87)84(62)81)83(58-65)93(68-33-11-5-12-34-68,69-35-13-6-14-36-69)71-54-50-64(51-55-71)89-78-43-21-17-39-74(78)75-40-18-22-44-79(75)89/h3-58H,59H2,1-2H3/q+1
InChIKeyCISAUZFOOVUHLX-UHFFFAOYSA-N
XLogP15.15
TPSA32.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001227.65
LogP ≤ 515.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-carbazol-9-ylphenyl)-[5-[2-[(4-carbazol-9-ylphenyl)-diphenylsilyl]-6-methylphenoxy]-3-methyl-2-(6H-pyrido[2,1-a]isoindol-5-ium-10-yloxy)phenyl]-diphenylsilane?
The IUPAC name of (4-carbazol-9-ylphenyl)-[5-[2-[(4-carbazol-9-ylphenyl)-diphenylsilyl]-6-methylphenoxy]-3-methyl-2-(6H-pyrido[2,1-a]isoindol-5-ium-10-yloxy)phenyl]-diphenylsilane (CID 58722659) is (4-carbazol-9-ylphenyl)-[5-[2-[(4-carbazol-9-ylphenyl)-diphenylsilyl]-6-methylphenoxy]-3-methyl-2-(6H-pyrido[2,1-a]isoindol-5-ium-10-yloxy)phenyl]-diphenylsilane.
What is the SMILES notation for (4-carbazol-9-ylphenyl)-[5-[2-[(4-carbazol-9-ylphenyl)-diphenylsilyl]-6-methylphenoxy]-3-methyl-2-(6H-pyrido[2,1-a]isoindol-5-ium-10-yloxy)phenyl]-diphenylsilane?
The canonical SMILES for (4-carbazol-9-ylphenyl)-[5-[2-[(4-carbazol-9-ylphenyl)-diphenylsilyl]-6-methylphenoxy]-3-methyl-2-(6H-pyrido[2,1-a]isoindol-5-ium-10-yloxy)phenyl]-diphenylsilane is Cc1cccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1Oc1cc(C)c(Oc2cccc3c2-c2cccc[n+]2C3)c([Si](c2ccccc2)(c2ccccc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1.
What is the InChIKey of (4-carbazol-9-ylphenyl)-[5-[2-[(4-carbazol-9-ylphenyl)-diphenylsilyl]-6-methylphenoxy]-3-methyl-2-(6H-pyrido[2,1-a]isoindol-5-ium-10-yloxy)phenyl]-diphenylsilane?
The InChIKey is CISAUZFOOVUHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H64N3O2Si2/c1-60-27-25-47-82(92(66-29-7-3-8-30-66,67-31-9-4-10-32-67)70-52-48-63(49-53-70)88-76-41-19-15-37-72(76)73-38-16-20-42-77(73)88)85(60)90-65-57-61(2)86(91-81-46-26-28-62-59-87-56-24-23-45-80(87)84(62)81)83(58-65)93(68-33-11-5-12-34-68,69-35-13-6-14-36-69)71-54-50-64(51-55-71)89-78-43-21-17-39-74(78)75-40-18-22-44-79(75)89/h3-58H,59H2,1-2H3/q+1.
What are the key properties of (4-carbazol-9-ylphenyl)-[5-[2-[(4-carbazol-9-ylphenyl)-diphenylsilyl]-6-methylphenoxy]-3-methyl-2-(6H-pyrido[2,1-a]isoindol-5-ium-10-yloxy)phenyl]-diphenylsilane?
(4-carbazol-9-ylphenyl)-[5-[2-[(4-carbazol-9-ylphenyl)-diphenylsilyl]-6-methylphenoxy]-3-methyl-2-(6H-pyrido[2,1-a]isoindol-5-ium-10-yloxy)phenyl]-diphenylsilane has a molecular weight of 1227.65 g/mol, XLogP of 15.15, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-carbazol-9-ylphenyl)-[5-[2-[(4-carbazol-9-ylphenyl)-diphenylsilyl]-6-methylphenoxy]-3-methyl-2-(6H-pyrido[2,1-a]isoindol-5-ium-10-yloxy)phenyl]-diphenylsilane is sourced from PubChem (CID 58722659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).