[2-[2-(3-bromophenoxy)carbazol-9-yl]-4-pyridinyl]-triphenylsilane

C41H29BrN2OSi — CID 164725465

IUPAC[2-[2-(3-bromophenoxy)carbazol-9-yl]-4-pyridinyl]-triphenylsilane
SMILESBrc1cccc(Oc2ccc3c4ccccc4n(-c4cc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)ccn4)c3c2)c1
InChIInChI=1S/C41H29BrN2OSi/c42-30-13-12-14-31(27-30)45-32-23-24-38-37-21-10-11-22-39(37)44(40(38)28-32)41-29-36(25-26-43-41)46(33-15-4-1-5-16-33,34-17-6-2-7-18-34)35-19-8-3-9-20-35/h1-29H
InChIKeyJGNANKZMLVRZKA-UHFFFAOYSA-N
MW673.69 g/mol
LogP8.11
Rot. Bonds7

About [2-[2-(3-bromophenoxy)carbazol-9-yl]-4-pyridinyl]-triphenylsilane

[2-[2-(3-bromophenoxy)carbazol-9-yl]-4-pyridinyl]-triphenylsilane (PubChem CID 164725465) has the molecular formula C41H29BrN2OSi and a molecular weight of 673.69 g/mol. Its IUPAC name is [2-[2-(3-bromophenoxy)carbazol-9-yl]-4-pyridinyl]-triphenylsilane.

Molecular Properties

Compound Name[2-[2-(3-bromophenoxy)carbazol-9-yl]-4-pyridinyl]-triphenylsilane
PubChem CID164725465
Molecular FormulaC41H29BrN2OSi
Molecular Weight673.69 g/mol
Exact Mass672.12
IUPAC Name[2-[2-(3-bromophenoxy)carbazol-9-yl]-4-pyridinyl]-triphenylsilane
SMILESBrc1cccc(Oc2ccc3c4ccccc4n(-c4cc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)ccn4)c3c2)c1
InChIInChI=1S/C41H29BrN2OSi/c42-30-13-12-14-31(27-30)45-32-23-24-38-37-21-10-11-22-39(37)44(40(38)28-32)41-29-36(25-26-43-41)46(33-15-4-1-5-16-33,34-17-6-2-7-18-34)35-19-8-3-9-20-35/h1-29H
InChIKeyJGNANKZMLVRZKA-UHFFFAOYSA-N
XLogP8.11
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.69
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-[2-(3-bromophenoxy)carbazol-9-yl]-4-pyridinyl]-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

[2-[2-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]carbazol-9-yl]-4-pyridinyl]-triphenylsilane
CID 174134425
2-(3-bromophenoxy)-9-[4-(3-methyl-2-phenyl-2-bicyclo[3.2.1]octa-5(8),6-dienyl)-2-pyridinyl]carbazole
CID 163420311
2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
CID 160515375
2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole
CID 167401547
2-[3-(benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;1-(3-bromophenyl)benzimidazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol;methane
CID 160810731
(E)-1-[2-(3-bromophenoxy)carbazol-9-yl]prop-1-en-1-amine
CID 170293781
2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 160515373
2-(3-pyrazol-1-ylphenoxy)-9-pyridin-2-ylcarbazole
CID 140794986
2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,3-oxazole
CID 141495117
[22-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-18-(3,5-ditert-butylphenyl)-20,22-diazahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2(7),3,5,8,10,12,14(19),15,17,23,25-dodecaen-5-yl]-triphenylsilane
CID 176850882
5-[2-(3-bromophenoxy)carbazol-9-yl]-7-tert-butyltelluropheno[3,2-b]pyridine
CID 167378721
9-(4-methyl-2-pyridinyl)-2-[3-[4-(3,4,5-trimethyl-2,6-diphenoxyphenyl)pyrazol-1-yl]phenoxy]carbazole
CID 153413901

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3-bromophenoxy)carbazol-9-yl]-4-pyridinyl]-triphenylsilane?
The IUPAC name of [2-[2-(3-bromophenoxy)carbazol-9-yl]-4-pyridinyl]-triphenylsilane (CID 164725465) is [2-[2-(3-bromophenoxy)carbazol-9-yl]-4-pyridinyl]-triphenylsilane.
What is the SMILES notation for [2-[2-(3-bromophenoxy)carbazol-9-yl]-4-pyridinyl]-triphenylsilane?
The canonical SMILES for [2-[2-(3-bromophenoxy)carbazol-9-yl]-4-pyridinyl]-triphenylsilane is Brc1cccc(Oc2ccc3c4ccccc4n(-c4cc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)ccn4)c3c2)c1.
What is the InChIKey of [2-[2-(3-bromophenoxy)carbazol-9-yl]-4-pyridinyl]-triphenylsilane?
The InChIKey is JGNANKZMLVRZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29BrN2OSi/c42-30-13-12-14-31(27-30)45-32-23-24-38-37-21-10-11-22-39(37)44(40(38)28-32)41-29-36(25-26-43-41)46(33-15-4-1-5-16-33,34-17-6-2-7-18-34)35-19-8-3-9-20-35/h1-29H.
What are the key properties of [2-[2-(3-bromophenoxy)carbazol-9-yl]-4-pyridinyl]-triphenylsilane?
[2-[2-(3-bromophenoxy)carbazol-9-yl]-4-pyridinyl]-triphenylsilane has a molecular weight of 673.69 g/mol, XLogP of 8.11, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3-bromophenoxy)carbazol-9-yl]-4-pyridinyl]-triphenylsilane is sourced from PubChem (CID 164725465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).