[2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-5-yl]-dibenzofuran-4-yl-diphenylsilane

C52H34N4OSi — CID 140924385

IUPAC[2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-5-yl]-dibenzofuran-4-yl-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2cnc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)nc2)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C52H34N4OSi/c1-3-16-36(17-4-1)58(37-18-5-2-6-19-37,50-29-15-24-43-42-23-10-14-28-49(42)57-51(43)50)38-33-53-52(54-34-38)56-47-27-13-9-22-41(47)44-32-35(30-31-48(44)56)55-45-25-11-7-20-39(45)40-21-8-12-26-46(40)55/h1-34H
InChIKeyWFYCAWQWYHJIQY-UHFFFAOYSA-N
MW758.96 g/mol
LogP9.95
Rot. Bonds6

About [2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-5-yl]-dibenzofuran-4-yl-diphenylsilane

[2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-5-yl]-dibenzofuran-4-yl-diphenylsilane (PubChem CID 140924385) has the molecular formula C52H34N4OSi and a molecular weight of 758.96 g/mol. Its IUPAC name is [2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-5-yl]-dibenzofuran-4-yl-diphenylsilane.

Molecular Properties

Compound Name[2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-5-yl]-dibenzofuran-4-yl-diphenylsilane
PubChem CID140924385
Molecular FormulaC52H34N4OSi
Molecular Weight758.96 g/mol
Exact Mass758.25
IUPAC Name[2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-5-yl]-dibenzofuran-4-yl-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2cnc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)nc2)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C52H34N4OSi/c1-3-16-36(17-4-1)58(37-18-5-2-6-19-37,50-29-15-24-43-42-23-10-14-28-49(42)57-51(43)50)38-33-53-52(54-34-38)56-47-27-13-9-22-41(47)44-32-35(30-31-48(44)56)55-45-25-11-7-20-39(45)40-21-8-12-26-46(40)55/h1-34H
InChIKeyWFYCAWQWYHJIQY-UHFFFAOYSA-N
XLogP9.95
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.96
LogP ≤ 59.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze [2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-5-yl]-dibenzofuran-4-yl-diphenylsilane 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

[3-[3-[3-(3-carbazol-9-ylphenyl)phenyl]carbazol-9-yl]phenyl]-dibenzofuran-4-yl-diphenylsilane
CID 89397736
dibenzofuran-4-yl-diphenyl-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenyl]silane
CID 89397692
dibenzofuran-4-yl-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]pyrimidin-4-yl]-diphenylsilane;dibenzofuran-4-yl-diphenyl-[2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]silane;dibenzofuran-4-yl-diphenyl-[2-(5-phenylindolo[3,2-b]carbazol-11-yl)pyrimidin-4-yl]silane
CID 158131885
(8-carbazol-9-yldibenzofuran-4-yl)-diphenyl-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)silane
CID 140811582
bis(8-carbazol-9-yldibenzofuran-2-yl)-dimethylsilane;(8-carbazol-9-yldibenzofuran-4-yl)-triphenylsilane;9-(8-trityldibenzofuran-2-yl)carbazole
CID 159993360
[4-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane
CID 166588195
[9-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-4-yl]-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane
CID 164756707
[2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]-dibenzothiophen-4-yl-diphenylsilane;(4-carbazol-9-yl-1,3,5-triazin-2-yl)-dibenzofuran-4-yl-diphenylsilane
CID 161463718
dibenzofuran-1-yl-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 170779740
[6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-b]pyridin-3-yl]-triphenylsilane
CID 156664880
[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
dibenzofuran-4-yl-diphenyl-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]silane;dibenzofuran-4-yl-diphenyl-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenyl]silane;dibenzothiophen-4-yl-diphenyl-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]silane
CID 159706684

Frequently Asked Questions

What is the IUPAC name of [2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-5-yl]-dibenzofuran-4-yl-diphenylsilane?
The IUPAC name of [2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-5-yl]-dibenzofuran-4-yl-diphenylsilane (CID 140924385) is [2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-5-yl]-dibenzofuran-4-yl-diphenylsilane.
What is the SMILES notation for [2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-5-yl]-dibenzofuran-4-yl-diphenylsilane?
The canonical SMILES for [2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-5-yl]-dibenzofuran-4-yl-diphenylsilane is c1ccc([Si](c2ccccc2)(c2cnc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)nc2)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of [2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-5-yl]-dibenzofuran-4-yl-diphenylsilane?
The InChIKey is WFYCAWQWYHJIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4OSi/c1-3-16-36(17-4-1)58(37-18-5-2-6-19-37,50-29-15-24-43-42-23-10-14-28-49(42)57-51(43)50)38-33-53-52(54-34-38)56-47-27-13-9-22-41(47)44-32-35(30-31-48(44)56)55-45-25-11-7-20-39(45)40-21-8-12-26-46(40)55/h1-34H.
What are the key properties of [2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-5-yl]-dibenzofuran-4-yl-diphenylsilane?
[2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-5-yl]-dibenzofuran-4-yl-diphenylsilane has a molecular weight of 758.96 g/mol, XLogP of 9.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-5-yl]-dibenzofuran-4-yl-diphenylsilane is sourced from PubChem (CID 140924385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).