[4-(8-carbazol-9-yl-[1]benzofuro[2,3-b]pyrazin-6-yl)phenyl]-triphenylsilane

C46H31N3OSi — CID 153422019

IUPAC[4-(8-carbazol-9-yl-[1]benzofuro[2,3-b]pyrazin-6-yl)phenyl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c3oc3nccnc34)cc2)cc1
InChIInChI=1S/C46H31N3OSi/c1-4-14-34(15-5-1)51(35-16-6-2-7-17-35,36-18-8-3-9-19-36)37-26-24-32(25-27-37)40-30-33(31-41-44-46(50-45(40)41)48-29-28-47-44)49-42-22-12-10-20-38(42)39-21-11-13-23-43(39)49/h1-31H
InChIKeyWBRUOYGWUQIHCM-UHFFFAOYSA-N
MW669.86 g/mol
LogP8.52
Rot. Bonds6

About [4-(8-carbazol-9-yl-[1]benzofuro[2,3-b]pyrazin-6-yl)phenyl]-triphenylsilane

[4-(8-carbazol-9-yl-[1]benzofuro[2,3-b]pyrazin-6-yl)phenyl]-triphenylsilane (PubChem CID 153422019) has the molecular formula C46H31N3OSi and a molecular weight of 669.86 g/mol. Its IUPAC name is [4-(8-carbazol-9-yl-[1]benzofuro[2,3-b]pyrazin-6-yl)phenyl]-triphenylsilane.

Molecular Properties

Compound Name[4-(8-carbazol-9-yl-[1]benzofuro[2,3-b]pyrazin-6-yl)phenyl]-triphenylsilane
PubChem CID153422019
Molecular FormulaC46H31N3OSi
Molecular Weight669.86 g/mol
Exact Mass669.22
IUPAC Name[4-(8-carbazol-9-yl-[1]benzofuro[2,3-b]pyrazin-6-yl)phenyl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c3oc3nccnc34)cc2)cc1
InChIInChI=1S/C46H31N3OSi/c1-4-14-34(15-5-1)51(35-16-6-2-7-17-35,36-18-8-3-9-19-36)37-26-24-32(25-27-37)40-30-33(31-41-44-46(50-45(40)41)48-29-28-47-44)49-42-22-12-10-20-38(42)39-21-11-13-23-43(39)49/h1-31H
InChIKeyWBRUOYGWUQIHCM-UHFFFAOYSA-N
XLogP8.52
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.86
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

[4-(8-phenoxazin-10-yl-[1]benzofuro[2,3-b]pyrazin-6-yl)phenyl]-triphenylsilane
CID 153422021
[3,5-di(carbazol-9-yl)phenyl]-triphenylsilane
CID 53427855
[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-(4-pyridin-2-ylphenyl)silane
CID 132545707
bis(4-carbazol-9-ylphenyl)-diphenylsilane
CID 139043550
[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 159773868
6-(4-carbazol-9-ylphenyl)-[1]benzofuro[3,2-b]pyridine
CID 122692971
tetrakis[4-(4-carbazol-9-ylphenyl)phenyl]silane
CID 102286078
triphenyl-[4-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]silane
CID 140782739
diphenyl-(4-phenylphenyl)-(5-phenylpyrido[3,2-b]indol-8-yl)silane
CID 159265035
triphenyl-[4-[2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166589115
6-(3-carbazol-9-ylphenyl)-8-phenyl-[1]benzofuro[3,2-b]pyridine
CID 122692992
9-(9-methyl-4-phenyldibenzofuran-2-yl)carbazole
CID 167228990

Frequently Asked Questions

What is the IUPAC name of [4-(8-carbazol-9-yl-[1]benzofuro[2,3-b]pyrazin-6-yl)phenyl]-triphenylsilane?
The IUPAC name of [4-(8-carbazol-9-yl-[1]benzofuro[2,3-b]pyrazin-6-yl)phenyl]-triphenylsilane (CID 153422019) is [4-(8-carbazol-9-yl-[1]benzofuro[2,3-b]pyrazin-6-yl)phenyl]-triphenylsilane.
What is the SMILES notation for [4-(8-carbazol-9-yl-[1]benzofuro[2,3-b]pyrazin-6-yl)phenyl]-triphenylsilane?
The canonical SMILES for [4-(8-carbazol-9-yl-[1]benzofuro[2,3-b]pyrazin-6-yl)phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c3oc3nccnc34)cc2)cc1.
What is the InChIKey of [4-(8-carbazol-9-yl-[1]benzofuro[2,3-b]pyrazin-6-yl)phenyl]-triphenylsilane?
The InChIKey is WBRUOYGWUQIHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N3OSi/c1-4-14-34(15-5-1)51(35-16-6-2-7-17-35,36-18-8-3-9-19-36)37-26-24-32(25-27-37)40-30-33(31-41-44-46(50-45(40)41)48-29-28-47-44)49-42-22-12-10-20-38(42)39-21-11-13-23-43(39)49/h1-31H.
What are the key properties of [4-(8-carbazol-9-yl-[1]benzofuro[2,3-b]pyrazin-6-yl)phenyl]-triphenylsilane?
[4-(8-carbazol-9-yl-[1]benzofuro[2,3-b]pyrazin-6-yl)phenyl]-triphenylsilane has a molecular weight of 669.86 g/mol, XLogP of 8.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(8-carbazol-9-yl-[1]benzofuro[2,3-b]pyrazin-6-yl)phenyl]-triphenylsilane is sourced from PubChem (CID 153422019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).