[3-(4-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]-triphenylsilane

C46H31N3OSi — CID 156631244

IUPAC[3-(4-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3nc(-n4c5ccccc5c5ccccc54)c4oc5ccccc5c4n3)c2)cc1
InChIInChI=1S/C46H31N3OSi/c1-4-18-33(19-5-1)51(34-20-6-2-7-21-34,35-22-8-3-9-23-35)36-24-16-17-32(31-36)45-47-43-39-27-12-15-30-42(39)50-44(43)46(48-45)49-40-28-13-10-25-37(40)38-26-11-14-29-41(38)49/h1-31H
InChIKeyBEYILQTUAVUYRN-UHFFFAOYSA-N
MW669.86 g/mol
LogP8.52
Rot. Bonds6

About [3-(4-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]-triphenylsilane

[3-(4-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]-triphenylsilane (PubChem CID 156631244) has the molecular formula C46H31N3OSi and a molecular weight of 669.86 g/mol. Its IUPAC name is [3-(4-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]-triphenylsilane.

Molecular Properties

Compound Name[3-(4-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]-triphenylsilane
PubChem CID156631244
Molecular FormulaC46H31N3OSi
Molecular Weight669.86 g/mol
Exact Mass669.22
IUPAC Name[3-(4-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3nc(-n4c5ccccc5c5ccccc54)c4oc5ccccc5c4n3)c2)cc1
InChIInChI=1S/C46H31N3OSi/c1-4-18-33(19-5-1)51(34-20-6-2-7-21-34,35-22-8-3-9-23-35)36-24-16-17-32(31-36)45-47-43-39-27-12-15-30-42(39)50-44(43)46(48-45)49-40-28-13-10-25-37(40)38-26-11-14-29-41(38)49/h1-31H
InChIKeyBEYILQTUAVUYRN-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

2-methyl-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 1414940
N-(3-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 1399676
N-Phenyl[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 621402
2-Methyl-4-morpholino[1]benzofuro[3,2-d]pyrimidine
CID 656347
N-(2-fluorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 1400652
N-(4-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 2068417
3-fluoro-N-[(4E)-2-methyl[1]benzofuro[3,2-d]pyrimidin-4(3H)-ylidene]aniline
CID 2068835
2-ethyl-N-(4-fluorophenyl)benzofuro[3,2-d]pyrimidin-4-amine hydrochloride
CID 24747355
2-ethyl-N-(2-methoxyphenyl)benzofuro[3,2-d]pyrimidin-4-amine hydrochloride
CID 24747356
4-((2-Ethylbenzofuro[3,2-d]pyrimidin-4-yl)amino)phenol hydrochloride
CID 24747665
2-ethyl-N-(3-fluorophenyl)benzofuro[3,2-d]pyrimidin-4-amine hydrochloride
CID 24747681
4-(4-Methylpiperazin-1-yl)-2-phenyl[1]benzofuro[3,2-d]pyrimidine
CID 661358

Frequently Asked Questions

What is the IUPAC name of [3-(4-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]-triphenylsilane?
The IUPAC name of [3-(4-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]-triphenylsilane (CID 156631244) is [3-(4-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]-triphenylsilane.
What is the SMILES notation for [3-(4-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]-triphenylsilane?
The canonical SMILES for [3-(4-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3nc(-n4c5ccccc5c5ccccc54)c4oc5ccccc5c4n3)c2)cc1.
What is the InChIKey of [3-(4-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]-triphenylsilane?
The InChIKey is BEYILQTUAVUYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N3OSi/c1-4-18-33(19-5-1)51(34-20-6-2-7-21-34,35-22-8-3-9-23-35)36-24-16-17-32(31-36)45-47-43-39-27-12-15-30-42(39)50-44(43)46(48-45)49-40-28-13-10-25-37(40)38-26-11-14-29-41(38)49/h1-31H.
What are the key properties of [3-(4-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]-triphenylsilane?
[3-(4-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidin-2-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 [3-(4-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]-triphenylsilane is sourced from PubChem (CID 156631244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).