(3-carbazol-9-ylphenyl)-[3-(1-dibenzofuran-1-ylcarbazol-9-yl)phenyl]-diphenylsilane

C60H40N2OSi — CID 177073528

IUPAC(3-carbazol-9-ylphenyl)-[3-(1-dibenzofuran-1-ylcarbazol-9-yl)phenyl]-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2cccc(-n3c4ccccc4c4cccc(-c5cccc6oc7ccccc7c56)c43)c2)cc1
InChIInChI=1S/C60H40N2OSi/c1-3-21-43(22-4-1)64(44-23-5-2-6-24-44,45-25-15-19-41(39-45)61-54-34-11-7-27-47(54)48-28-8-12-35-55(48)61)46-26-16-20-42(40-46)62-56-36-13-9-29-49(56)51-32-17-33-52(60(51)62)50-31-18-38-58-59(50)53-30-10-14-37-57(53)63-58/h1-40H
InChIKeyBFAHHSPNAWVRIM-UHFFFAOYSA-N
MW833.08 g/mol
LogP12.82
Rot. Bonds7

About (3-carbazol-9-ylphenyl)-[3-(1-dibenzofuran-1-ylcarbazol-9-yl)phenyl]-diphenylsilane

(3-carbazol-9-ylphenyl)-[3-(1-dibenzofuran-1-ylcarbazol-9-yl)phenyl]-diphenylsilane (PubChem CID 177073528) has the molecular formula C60H40N2OSi and a molecular weight of 833.08 g/mol. Its IUPAC name is (3-carbazol-9-ylphenyl)-[3-(1-dibenzofuran-1-ylcarbazol-9-yl)phenyl]-diphenylsilane.

Molecular Properties

Compound Name(3-carbazol-9-ylphenyl)-[3-(1-dibenzofuran-1-ylcarbazol-9-yl)phenyl]-diphenylsilane
PubChem CID177073528
Molecular FormulaC60H40N2OSi
Molecular Weight833.08 g/mol
Exact Mass832.29
IUPAC Name(3-carbazol-9-ylphenyl)-[3-(1-dibenzofuran-1-ylcarbazol-9-yl)phenyl]-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2cccc(-n3c4ccccc4c4cccc(-c5cccc6oc7ccccc7c56)c43)c2)cc1
InChIInChI=1S/C60H40N2OSi/c1-3-21-43(22-4-1)64(44-23-5-2-6-24-44,45-25-15-19-41(39-45)61-54-34-11-7-27-47(54)48-28-8-12-35-55(48)61)46-26-16-20-42(40-46)62-56-36-13-9-29-49(56)51-32-17-33-52(60(51)62)50-31-18-38-58-59(50)53-30-10-14-37-57(53)63-58/h1-40H
InChIKeyBFAHHSPNAWVRIM-UHFFFAOYSA-N
XLogP12.82
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.08
LogP ≤ 512.82
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

[3-[3-(4-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588993
[3-(1-dibenzofuran-4-ylcarbazol-9-yl)phenyl]-triphenylsilane
CID 177073497
[3-[3-(2-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588854
[3-[2-(3-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588714
1-dibenzofuran-1-yl-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 163881699
triphenyl-[3-[4-[1-(9-phenylcarbazol-4-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166589089
triphenyl-[3-[12-(3-triphenylsilylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]silane
CID 168792006
(3-carbazol-9-ylphenyl)-triphenylsilane
CID 58926933
[3-[2-(4-dibenzofuran-3-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588361
[4-[4-(3-carbazol-9-ylphenyl)-6-(3-dibenzofuran-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 176722269
(3-dibenzofuran-4-ylphenyl)-diphenyl-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]silane
CID 123907174
[4-[1-(3-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588810

Frequently Asked Questions

What is the IUPAC name of (3-carbazol-9-ylphenyl)-[3-(1-dibenzofuran-1-ylcarbazol-9-yl)phenyl]-diphenylsilane?
The IUPAC name of (3-carbazol-9-ylphenyl)-[3-(1-dibenzofuran-1-ylcarbazol-9-yl)phenyl]-diphenylsilane (CID 177073528) is (3-carbazol-9-ylphenyl)-[3-(1-dibenzofuran-1-ylcarbazol-9-yl)phenyl]-diphenylsilane.
What is the SMILES notation for (3-carbazol-9-ylphenyl)-[3-(1-dibenzofuran-1-ylcarbazol-9-yl)phenyl]-diphenylsilane?
The canonical SMILES for (3-carbazol-9-ylphenyl)-[3-(1-dibenzofuran-1-ylcarbazol-9-yl)phenyl]-diphenylsilane is c1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2cccc(-n3c4ccccc4c4cccc(-c5cccc6oc7ccccc7c56)c43)c2)cc1.
What is the InChIKey of (3-carbazol-9-ylphenyl)-[3-(1-dibenzofuran-1-ylcarbazol-9-yl)phenyl]-diphenylsilane?
The InChIKey is BFAHHSPNAWVRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2OSi/c1-3-21-43(22-4-1)64(44-23-5-2-6-24-44,45-25-15-19-41(39-45)61-54-34-11-7-27-47(54)48-28-8-12-35-55(48)61)46-26-16-20-42(40-46)62-56-36-13-9-29-49(56)51-32-17-33-52(60(51)62)50-31-18-38-58-59(50)53-30-10-14-37-57(53)63-58/h1-40H.
What are the key properties of (3-carbazol-9-ylphenyl)-[3-(1-dibenzofuran-1-ylcarbazol-9-yl)phenyl]-diphenylsilane?
(3-carbazol-9-ylphenyl)-[3-(1-dibenzofuran-1-ylcarbazol-9-yl)phenyl]-diphenylsilane has a molecular weight of 833.08 g/mol, XLogP of 12.82, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carbazol-9-ylphenyl)-[3-(1-dibenzofuran-1-ylcarbazol-9-yl)phenyl]-diphenylsilane is sourced from PubChem (CID 177073528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).