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

C40H27N3OSi — CID 171723046

IUPAC[1]benzofuro[3,2-d]pyrimidin-4-yl-(3-carbazol-9-ylphenyl)-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2ncnc3c2oc2ccccc23)cc1
InChIInChI=1S/C40H27N3OSi/c1-3-15-29(16-4-1)45(30-17-5-2-6-18-30,40-39-38(41-27-42-40)34-22-9-12-25-37(34)44-39)31-19-13-14-28(26-31)43-35-23-10-7-20-32(35)33-21-8-11-24-36(33)43/h1-27H
InChIKeyPOFHTOPHNRDRKU-UHFFFAOYSA-N
MW593.76 g/mol
LogP6.85
Rot. Bonds5

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

[1]benzofuro[3,2-d]pyrimidin-4-yl-(3-carbazol-9-ylphenyl)-diphenylsilane (PubChem CID 171723046) has the molecular formula C40H27N3OSi and a molecular weight of 593.76 g/mol. Its IUPAC name is [1]benzofuro[3,2-d]pyrimidin-4-yl-(3-carbazol-9-ylphenyl)-diphenylsilane.

Molecular Properties

Compound Name[1]benzofuro[3,2-d]pyrimidin-4-yl-(3-carbazol-9-ylphenyl)-diphenylsilane
PubChem CID171723046
Molecular FormulaC40H27N3OSi
Molecular Weight593.76 g/mol
Exact Mass593.19
IUPAC Name[1]benzofuro[3,2-d]pyrimidin-4-yl-(3-carbazol-9-ylphenyl)-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2ncnc3c2oc2ccccc23)cc1
InChIInChI=1S/C40H27N3OSi/c1-3-15-29(16-4-1)45(30-17-5-2-6-18-30,40-39-38(41-27-42-40)34-22-9-12-25-37(34)44-39)31-19-13-14-28(26-31)43-35-23-10-7-20-32(35)33-21-8-11-24-36(33)43/h1-27H
InChIKeyPOFHTOPHNRDRKU-UHFFFAOYSA-N
XLogP6.85
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.76
LogP ≤ 56.85
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

(3-carbazol-9-ylphenyl)-triphenylsilane
CID 58926933
[3-(1-dibenzofuran-4-ylcarbazol-9-yl)phenyl]-triphenylsilane
CID 177073497
4-[4-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 126550768
[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[3-(17-carbazol-9-yl-3-oxa-14,21,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15(20),16,18,22-decaen-21-yl)phenyl]-diphenylsilane
CID 176725053
(3-carbazol-9-ylphenyl)-[3-(1-dibenzofuran-1-ylcarbazol-9-yl)phenyl]-diphenylsilane
CID 177073528
[3-[2-(2-dibenzofuran-3-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588280
4-[3-(3-carbazol-9-ylphenyl)phenyl]-8-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 156578602
4-[3-(3-carbazol-9-ylphenyl)phenyl]-8-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 162485295
[3-[3-[3-(3-carbazol-9-ylphenyl)phenyl]carbazol-9-yl]phenyl]-dibenzofuran-4-yl-diphenylsilane
CID 89397736
[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-(4-carbazol-9-ylphenyl)-diphenylsilane;[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-(4-carbazol-9-ylphenyl)-diphenylsilane;[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-(3-carbazol-9-ylphenyl)-diphenylsilane;[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-(3-carbazol-9-ylphenyl)-diphenylsilane;[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-(4-carbazol-9-ylphenyl)-diphenylsilane
CID 158577794
[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-(4-bromophenyl)-diphenylsilane
CID 140842642
diphenyl-bis(6-pyrido[3,4-b]indol-9-yl-[1]benzofuro[2,3-c]pyridin-1-yl)silane
CID 140811487

Frequently Asked Questions

What is the IUPAC name of [1]benzofuro[3,2-d]pyrimidin-4-yl-(3-carbazol-9-ylphenyl)-diphenylsilane?
The IUPAC name of [1]benzofuro[3,2-d]pyrimidin-4-yl-(3-carbazol-9-ylphenyl)-diphenylsilane (CID 171723046) is [1]benzofuro[3,2-d]pyrimidin-4-yl-(3-carbazol-9-ylphenyl)-diphenylsilane.
What is the SMILES notation for [1]benzofuro[3,2-d]pyrimidin-4-yl-(3-carbazol-9-ylphenyl)-diphenylsilane?
The canonical SMILES for [1]benzofuro[3,2-d]pyrimidin-4-yl-(3-carbazol-9-ylphenyl)-diphenylsilane is c1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2ncnc3c2oc2ccccc23)cc1.
What is the InChIKey of [1]benzofuro[3,2-d]pyrimidin-4-yl-(3-carbazol-9-ylphenyl)-diphenylsilane?
The InChIKey is POFHTOPHNRDRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N3OSi/c1-3-15-29(16-4-1)45(30-17-5-2-6-18-30,40-39-38(41-27-42-40)34-22-9-12-25-37(34)44-39)31-19-13-14-28(26-31)43-35-23-10-7-20-32(35)33-21-8-11-24-36(33)43/h1-27H.
What are the key properties of [1]benzofuro[3,2-d]pyrimidin-4-yl-(3-carbazol-9-ylphenyl)-diphenylsilane?
[1]benzofuro[3,2-d]pyrimidin-4-yl-(3-carbazol-9-ylphenyl)-diphenylsilane has a molecular weight of 593.76 g/mol, XLogP of 6.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1]benzofuro[3,2-d]pyrimidin-4-yl-(3-carbazol-9-ylphenyl)-diphenylsilane is sourced from PubChem (CID 171723046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).