[3-[(E)-2-(8-carbazol-9-yldibenzofuran-2-yl)ethenyl]phenyl]-triphenylsilane

C50H35NOSi — CID 140702791

IUPAC[3-[(E)-2-(8-carbazol-9-yldibenzofuran-2-yl)ethenyl]phenyl]-triphenylsilane
SMILESC(=C/c1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1)\c1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C50H35NOSi/c1-4-16-39(17-5-1)53(40-18-6-2-7-19-40,41-20-8-3-9-21-41)42-22-14-15-36(33-42)27-28-37-29-31-49-45(34-37)46-35-38(30-32-50(46)52-49)51-47-25-12-10-23-43(47)44-24-11-13-26-48(44)51/h1-35H/b28-27+
InChIKeyQVASIJYYJBRZDC-BYYHNAKLSA-N
MW693.92 g/mol
LogP10.23
Rot. Bonds7

About [3-[(E)-2-(8-carbazol-9-yldibenzofuran-2-yl)ethenyl]phenyl]-triphenylsilane

[3-[(E)-2-(8-carbazol-9-yldibenzofuran-2-yl)ethenyl]phenyl]-triphenylsilane (PubChem CID 140702791) has the molecular formula C50H35NOSi and a molecular weight of 693.92 g/mol. Its IUPAC name is [3-[(E)-2-(8-carbazol-9-yldibenzofuran-2-yl)ethenyl]phenyl]-triphenylsilane.

Molecular Properties

Compound Name[3-[(E)-2-(8-carbazol-9-yldibenzofuran-2-yl)ethenyl]phenyl]-triphenylsilane
PubChem CID140702791
Molecular FormulaC50H35NOSi
Molecular Weight693.92 g/mol
Exact Mass693.25
IUPAC Name[3-[(E)-2-(8-carbazol-9-yldibenzofuran-2-yl)ethenyl]phenyl]-triphenylsilane
SMILESC(=C/c1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1)\c1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C50H35NOSi/c1-4-16-39(17-5-1)53(40-18-6-2-7-19-40,41-20-8-3-9-21-41)42-22-14-15-36(33-42)27-28-37-29-31-49-45(34-37)46-35-38(30-32-50(46)52-49)51-47-25-12-10-23-43(47)44-24-11-13-26-48(44)51/h1-35H/b28-27+
InChIKeyQVASIJYYJBRZDC-BYYHNAKLSA-N
XLogP10.23
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.92
LogP ≤ 510.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'stilbene', '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
(3-carbazol-9-ylphenyl)-triphenylsilane
CID 58926933
[3-[3-(7-carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]-triphenylsilane
CID 140702812
[3-[2-(2-dibenzofuran-3-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588280
[3-[3-(4-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588993
9-(8-triphenylsilyldibenzofuran-2-yl)carbazole-4-carbonitrile
CID 123762186
[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 140842638
diphenyl-(9-phenylcarbazol-3-yl)-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane
CID 89393751
[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-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]-tris(3-methylphenyl)silane
CID 140702801
(3-carbazol-9-ylphenyl)-[3-(1-dibenzofuran-1-ylcarbazol-9-yl)phenyl]-diphenylsilane
CID 177073528
[6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-b]pyridin-3-yl]-triphenylsilane
CID 156664880

Frequently Asked Questions

What is the IUPAC name of [3-[(E)-2-(8-carbazol-9-yldibenzofuran-2-yl)ethenyl]phenyl]-triphenylsilane?
The IUPAC name of [3-[(E)-2-(8-carbazol-9-yldibenzofuran-2-yl)ethenyl]phenyl]-triphenylsilane (CID 140702791) is [3-[(E)-2-(8-carbazol-9-yldibenzofuran-2-yl)ethenyl]phenyl]-triphenylsilane.
What is the SMILES notation for [3-[(E)-2-(8-carbazol-9-yldibenzofuran-2-yl)ethenyl]phenyl]-triphenylsilane?
The canonical SMILES for [3-[(E)-2-(8-carbazol-9-yldibenzofuran-2-yl)ethenyl]phenyl]-triphenylsilane is C(=C/c1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1)\c1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of [3-[(E)-2-(8-carbazol-9-yldibenzofuran-2-yl)ethenyl]phenyl]-triphenylsilane?
The InChIKey is QVASIJYYJBRZDC-BYYHNAKLSA-N. The full InChI is InChI=1S/C50H35NOSi/c1-4-16-39(17-5-1)53(40-18-6-2-7-19-40,41-20-8-3-9-21-41)42-22-14-15-36(33-42)27-28-37-29-31-49-45(34-37)46-35-38(30-32-50(46)52-49)51-47-25-12-10-23-43(47)44-24-11-13-26-48(44)51/h1-35H/b28-27+.
What are the key properties of [3-[(E)-2-(8-carbazol-9-yldibenzofuran-2-yl)ethenyl]phenyl]-triphenylsilane?
[3-[(E)-2-(8-carbazol-9-yldibenzofuran-2-yl)ethenyl]phenyl]-triphenylsilane has a molecular weight of 693.92 g/mol, XLogP of 10.23, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(E)-2-(8-carbazol-9-yldibenzofuran-2-yl)ethenyl]phenyl]-triphenylsilane is sourced from PubChem (CID 140702791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).