[9-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-4-yl]-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane

C54H36N2OSi — CID 164756707

IUPAC[9-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-4-yl]-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane
SMILES[2H]c1c([2H])c([2H])c([Si](c2ccccc2)(c2ccccc2)c2cccc3c2c2ccccc2n3-c2ccc3c(c2)c2ccccc2n3-c2ccc3oc4ccccc4c3c2)c([2H])c1[2H]
InChIInChI=1S/C54H36N2OSi/c1-4-17-39(18-5-1)58(40-19-6-2-7-20-40,41-21-8-3-9-22-41)53-30-16-28-50-54(53)44-25-11-14-27-48(44)56(50)37-31-33-49-45(35-37)42-23-10-13-26-47(42)55(49)38-32-34-52-46(36-38)43-24-12-15-29-51(43)57-52/h1-36H/i1D,4D,5D,17D,18D
InChIKeyNEMZTRQTCSKHRL-OCAOJUBNSA-N
MW762.01 g/mol
LogP11.16
Rot. Bonds6

About [9-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-4-yl]-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane

[9-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-4-yl]-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane (PubChem CID 164756707) has the molecular formula C54H36N2OSi and a molecular weight of 762.01 g/mol. Its IUPAC name is [9-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-4-yl]-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane.

Molecular Properties

Compound Name[9-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-4-yl]-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane
PubChem CID164756707
Molecular FormulaC54H36N2OSi
Molecular Weight762.01 g/mol
Exact Mass761.29
IUPAC Name[9-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-4-yl]-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane
SMILES[2H]c1c([2H])c([2H])c([Si](c2ccccc2)(c2ccccc2)c2cccc3c2c2ccccc2n3-c2ccc3c(c2)c2ccccc2n3-c2ccc3oc4ccccc4c3c2)c([2H])c1[2H]
InChIInChI=1S/C54H36N2OSi/c1-4-17-39(18-5-1)58(40-19-6-2-7-20-40,41-21-8-3-9-22-41)53-30-16-28-50-54(53)44-25-11-14-27-48(44)56(50)37-31-33-49-45(35-37)42-23-10-13-26-47(42)55(49)38-32-34-52-46(36-38)43-24-12-15-29-51(43)57-52/h1-36H/i1D,4D,5D,17D,18D
InChIKeyNEMZTRQTCSKHRL-OCAOJUBNSA-N
XLogP11.16
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.01
LogP ≤ 511.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,3,4,5,6-pentadeuteriophenyl)-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-4-yl]-diphenylsilane
CID 164756562
[9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-4-yl]-triphenylsilane
CID 164756610
dibenzofuran-2-yl-diphenyl-[3-[3-(3-phenylcarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]silane
CID 171457987
[4-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]-triphenylsilane
CID 171457908
dibenzofuran-1-yl-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 170779740
[5,12-di(dibenzofuran-2-yl)indolo[3,2-c]carbazol-9-yl]-triphenylsilane
CID 172534668
(2,3,4,5,6-pentadeuteriophenyl)-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-3-yl]-diphenylsilane
CID 164756684
[2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-5-yl]-dibenzofuran-4-yl-diphenylsilane
CID 140924385
9-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 165165879
[3-[3-(4-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588993
dibenzofuran-2-yl-[3-[4-[4-[diphenyl-(4-phenylphenyl)silyl]carbazol-9-yl]carbazol-9-yl]phenyl]-diphenylsilane
CID 171457910
[4-[3-(1-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane
CID 168762387

Frequently Asked Questions

What is the IUPAC name of [9-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-4-yl]-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane?
The IUPAC name of [9-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-4-yl]-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane (CID 164756707) is [9-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-4-yl]-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane.
What is the SMILES notation for [9-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-4-yl]-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane?
The canonical SMILES for [9-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-4-yl]-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane is [2H]c1c([2H])c([2H])c([Si](c2ccccc2)(c2ccccc2)c2cccc3c2c2ccccc2n3-c2ccc3c(c2)c2ccccc2n3-c2ccc3oc4ccccc4c3c2)c([2H])c1[2H].
What is the InChIKey of [9-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-4-yl]-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane?
The InChIKey is NEMZTRQTCSKHRL-OCAOJUBNSA-N. The full InChI is InChI=1S/C54H36N2OSi/c1-4-17-39(18-5-1)58(40-19-6-2-7-20-40,41-21-8-3-9-22-41)53-30-16-28-50-54(53)44-25-11-14-27-48(44)56(50)37-31-33-49-45(35-37)42-23-10-13-26-47(42)55(49)38-32-34-52-46(36-38)43-24-12-15-29-51(43)57-52/h1-36H/i1D,4D,5D,17D,18D.
What are the key properties of [9-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-4-yl]-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane?
[9-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-4-yl]-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane has a molecular weight of 762.01 g/mol, XLogP of 11.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-4-yl]-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane is sourced from PubChem (CID 164756707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).