[11-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-b]carbazol-8-yl]-triphenylsilane

C52H35N3OSi — CID 140775802

IUPAC[11-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-b]carbazol-8-yl]-triphenylsilane
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4c4cc5oc6ccccc6c5cc43)n2)cc1
InChIInChI=1S/C52H35N3OSi/c1-6-18-36(19-7-1)46-35-47(37-20-8-2-9-21-37)54-52(53-46)55-48-31-30-41(32-43(48)44-34-51-45(33-49(44)55)42-28-16-17-29-50(42)56-51)57(38-22-10-3-11-23-38,39-24-12-4-13-25-39)40-26-14-5-15-27-40/h1-35H
InChIKeyNWVPOCBKHXXLHX-UHFFFAOYSA-N
MW745.96 g/mol
LogP10.18
Rot. Bonds7

About [11-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-b]carbazol-8-yl]-triphenylsilane

[11-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-b]carbazol-8-yl]-triphenylsilane (PubChem CID 140775802) has the molecular formula C52H35N3OSi and a molecular weight of 745.96 g/mol. Its IUPAC name is [11-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-b]carbazol-8-yl]-triphenylsilane.

Molecular Properties

Compound Name[11-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-b]carbazol-8-yl]-triphenylsilane
PubChem CID140775802
Molecular FormulaC52H35N3OSi
Molecular Weight745.96 g/mol
Exact Mass745.25
IUPAC Name[11-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-b]carbazol-8-yl]-triphenylsilane
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4c4cc5oc6ccccc6c5cc43)n2)cc1
InChIInChI=1S/C52H35N3OSi/c1-6-18-36(19-7-1)46-35-47(37-20-8-2-9-21-37)54-52(53-46)55-48-31-30-41(32-43(48)44-34-51-45(33-49(44)55)42-28-16-17-29-50(42)56-51)57(38-22-10-3-11-23-38,39-24-12-4-13-25-39)40-26-14-5-15-27-40/h1-35H
InChIKeyNWVPOCBKHXXLHX-UHFFFAOYSA-N
XLogP10.18
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.96
LogP ≤ 510.18
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'}

Analyze [11-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-b]carbazol-8-yl]-triphenylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 70851639
[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 140842638
3-dibenzofuran-2-yl-9-(4,6-diphenylpyrimidin-2-yl)-6-phenylcarbazole
CID 163626219
dibenzofuran-2-yl-diphenyl-[4-[6-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)pyrimidin-4-yl]phenyl]silane
CID 168842587
[3-(2-carbazol-9-yl-6-dibenzofuran-2-ylpyrimidin-4-yl)phenyl]-tris(3-phenylphenyl)silane
CID 168836289
[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzofuran-2-yl-diphenylsilane
CID 164757098
[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-diphenyl-[3-(9-phenylcarbazol-3-yl)phenyl]silane;diphenyl-[3-(9-phenylcarbazol-3-yl)phenyl]-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]silane;diphenyl-[4-(9-phenylcarbazol-3-yl)phenyl]-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]silane
CID 158196682
3-dibenzofuran-2-yl-6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 118503233
[3-[6-dibenzofuran-4-yl-2-(3-phenylcarbazol-9-yl)pyrimidin-4-yl]phenyl]-diphenyl-(3-phenylphenyl)silane
CID 168836375
[3-[6-dibenzofuran-4-yl-2-(3-phenylcarbazol-9-yl)pyrimidin-4-yl]phenyl]-phenyl-bis(3-phenylphenyl)silane
CID 168836422
19-(4,6-diphenylpyrimidin-2-yl)-10,15-dioxa-19-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene
CID 118301346
11-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)pyrimidin-2-yl]-[1]benzofuro[3,2-b]carbazole
CID 118154247

Frequently Asked Questions

What is the IUPAC name of [11-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-b]carbazol-8-yl]-triphenylsilane?
The IUPAC name of [11-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-b]carbazol-8-yl]-triphenylsilane (CID 140775802) is [11-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-b]carbazol-8-yl]-triphenylsilane.
What is the SMILES notation for [11-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-b]carbazol-8-yl]-triphenylsilane?
The canonical SMILES for [11-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-b]carbazol-8-yl]-triphenylsilane is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4c4cc5oc6ccccc6c5cc43)n2)cc1.
What is the InChIKey of [11-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-b]carbazol-8-yl]-triphenylsilane?
The InChIKey is NWVPOCBKHXXLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N3OSi/c1-6-18-36(19-7-1)46-35-47(37-20-8-2-9-21-37)54-52(53-46)55-48-31-30-41(32-43(48)44-34-51-45(33-49(44)55)42-28-16-17-29-50(42)56-51)57(38-22-10-3-11-23-38,39-24-12-4-13-25-39)40-26-14-5-15-27-40/h1-35H.
What are the key properties of [11-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-b]carbazol-8-yl]-triphenylsilane?
[11-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-b]carbazol-8-yl]-triphenylsilane has a molecular weight of 745.96 g/mol, XLogP of 10.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [11-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-b]carbazol-8-yl]-triphenylsilane is sourced from PubChem (CID 140775802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).