[9-[6-(9,9-dimethylxanthen-4-yl)dibenzofuran-2-yl]carbazol-3-yl]-triphenylsilane

C57H41NO2Si — CID 140937123

IUPAC[9-[6-(9,9-dimethylxanthen-4-yl)dibenzofuran-2-yl]carbazol-3-yl]-triphenylsilane
SMILESCC1(C)c2ccccc2Oc2c(-c3cccc4c3oc3ccc(-n5c6ccccc6c6cc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)ccc65)cc34)cccc21
InChIInChI=1S/C57H41NO2Si/c1-57(2)49-28-13-15-31-54(49)60-56-45(27-17-29-50(56)57)44-25-16-26-46-48-36-38(32-35-53(48)59-55(44)46)58-51-30-14-12-24-43(51)47-37-42(33-34-52(47)58)61(39-18-6-3-7-19-39,40-20-8-4-9-21-40)41-22-10-5-11-23-41/h3-37H,1-2H3
InChIKeyKYCOVEXJBVQLOC-UHFFFAOYSA-N
MW800.05 g/mol
LogP12.16
Rot. Bonds6

About [9-[6-(9,9-dimethylxanthen-4-yl)dibenzofuran-2-yl]carbazol-3-yl]-triphenylsilane

[9-[6-(9,9-dimethylxanthen-4-yl)dibenzofuran-2-yl]carbazol-3-yl]-triphenylsilane (PubChem CID 140937123) has the molecular formula C57H41NO2Si and a molecular weight of 800.05 g/mol. Its IUPAC name is [9-[6-(9,9-dimethylxanthen-4-yl)dibenzofuran-2-yl]carbazol-3-yl]-triphenylsilane.

Molecular Properties

Compound Name[9-[6-(9,9-dimethylxanthen-4-yl)dibenzofuran-2-yl]carbazol-3-yl]-triphenylsilane
PubChem CID140937123
Molecular FormulaC57H41NO2Si
Molecular Weight800.05 g/mol
Exact Mass799.29
IUPAC Name[9-[6-(9,9-dimethylxanthen-4-yl)dibenzofuran-2-yl]carbazol-3-yl]-triphenylsilane
SMILESCC1(C)c2ccccc2Oc2c(-c3cccc4c3oc3ccc(-n5c6ccccc6c6cc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)ccc65)cc34)cccc21
InChIInChI=1S/C57H41NO2Si/c1-57(2)49-28-13-15-31-54(49)60-56-45(27-17-29-50(56)57)44-25-16-26-46-48-36-38(32-35-53(48)59-55(44)46)58-51-30-14-12-24-43(51)47-37-42(33-34-52(47)58)61(39-18-6-3-7-19-39,40-20-8-4-9-21-40)41-22-10-5-11-23-41/h3-37H,1-2H3
InChIKeyKYCOVEXJBVQLOC-UHFFFAOYSA-N
XLogP12.16
TPSA27.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500800.05
LogP ≤ 512.16
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

bis(18-carbazol-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)-diphenylsilane
CID 59147251
9-(6-dibenzofuran-4-yldibenzofuran-2-yl)-3-phenylcarbazole
CID 146532981
[3-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 165164081
[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 140842348
3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(6-phenyldibenzofuran-2-yl)carbazole
CID 170080701
N,N-bis(4-carbazol-9-ylphenyl)-6-[3-(3-triphenylsilylphenyl)phenyl]dibenzofuran-2-amine
CID 140702750
[3-(1-dibenzofuran-4-ylcarbazol-9-yl)phenyl]-triphenylsilane
CID 177073497
[6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-b]pyridin-3-yl]-triphenylsilane
CID 156664880
diphenyl-(9-phenylcarbazol-3-yl)-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane
CID 89393751
[4-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane
CID 166588195
[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-triphenylsilane;[3-(3-carbazol-9-yl-6-trimethylsilylcarbazol-9-yl)phenyl]-triphenylsilane;[3-(3-carbazol-9-yl-6-triphenylsilylcarbazol-9-yl)phenyl]-triphenylsilane
CID 165013153
(3-carbazol-9-ylphenyl)-[4-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-diphenylsilane
CID 140842311

Frequently Asked Questions

What is the IUPAC name of [9-[6-(9,9-dimethylxanthen-4-yl)dibenzofuran-2-yl]carbazol-3-yl]-triphenylsilane?
The IUPAC name of [9-[6-(9,9-dimethylxanthen-4-yl)dibenzofuran-2-yl]carbazol-3-yl]-triphenylsilane (CID 140937123) is [9-[6-(9,9-dimethylxanthen-4-yl)dibenzofuran-2-yl]carbazol-3-yl]-triphenylsilane.
What is the SMILES notation for [9-[6-(9,9-dimethylxanthen-4-yl)dibenzofuran-2-yl]carbazol-3-yl]-triphenylsilane?
The canonical SMILES for [9-[6-(9,9-dimethylxanthen-4-yl)dibenzofuran-2-yl]carbazol-3-yl]-triphenylsilane is CC1(C)c2ccccc2Oc2c(-c3cccc4c3oc3ccc(-n5c6ccccc6c6cc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)ccc65)cc34)cccc21.
What is the InChIKey of [9-[6-(9,9-dimethylxanthen-4-yl)dibenzofuran-2-yl]carbazol-3-yl]-triphenylsilane?
The InChIKey is KYCOVEXJBVQLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41NO2Si/c1-57(2)49-28-13-15-31-54(49)60-56-45(27-17-29-50(56)57)44-25-16-26-46-48-36-38(32-35-53(48)59-55(44)46)58-51-30-14-12-24-43(51)47-37-42(33-34-52(47)58)61(39-18-6-3-7-19-39,40-20-8-4-9-21-40)41-22-10-5-11-23-41/h3-37H,1-2H3.
What are the key properties of [9-[6-(9,9-dimethylxanthen-4-yl)dibenzofuran-2-yl]carbazol-3-yl]-triphenylsilane?
[9-[6-(9,9-dimethylxanthen-4-yl)dibenzofuran-2-yl]carbazol-3-yl]-triphenylsilane has a molecular weight of 800.05 g/mol, XLogP of 12.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[6-(9,9-dimethylxanthen-4-yl)dibenzofuran-2-yl]carbazol-3-yl]-triphenylsilane is sourced from PubChem (CID 140937123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).