[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-(4-bromophenyl)-diphenylsilane

C42H28BrNOSi — CID 140842642

IUPAC[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-(4-bromophenyl)-diphenylsilane
SMILESBrc1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2)cc1
InChIInChI=1S/C42H28BrNOSi/c43-29-22-24-33(25-23-29)46(31-13-3-1-4-14-31,32-15-5-2-6-16-32)34-17-11-12-30(28-34)44-38-20-9-7-19-37(38)41-39(44)27-26-36-35-18-8-10-21-40(35)45-42(36)41/h1-28H
InChIKeyKQINVQRUMXFKGX-UHFFFAOYSA-N
MW670.68 g/mol
LogP8.82
Rot. Bonds5

About [3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-(4-bromophenyl)-diphenylsilane

[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-(4-bromophenyl)-diphenylsilane (PubChem CID 140842642) has the molecular formula C42H28BrNOSi and a molecular weight of 670.68 g/mol. Its IUPAC name is [3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-(4-bromophenyl)-diphenylsilane.

Molecular Properties

Compound Name[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-(4-bromophenyl)-diphenylsilane
PubChem CID140842642
Molecular FormulaC42H28BrNOSi
Molecular Weight670.68 g/mol
Exact Mass669.11
IUPAC Name[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-(4-bromophenyl)-diphenylsilane
SMILESBrc1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2)cc1
InChIInChI=1S/C42H28BrNOSi/c43-29-22-24-33(25-23-29)46(31-13-3-1-4-14-31,32-15-5-2-6-16-32)34-17-11-12-30(28-34)44-38-20-9-7-19-37(38)41-39(44)27-26-36-35-18-8-10-21-40(35)45-42(36)41/h1-28H
InChIKeyKQINVQRUMXFKGX-UHFFFAOYSA-N
XLogP8.82
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.68
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 140842671
[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-dibenzofuran-4-ylphenyl)-diphenyl-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]silane
CID 123907174
[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-triphenylsilane;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-dibenzofuran-3-yl-9-(4-triphenylen-2-ylphenyl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 158007858
[3-(1-dibenzofuran-4-ylcarbazol-9-yl)phenyl]-triphenylsilane
CID 177073497
9-[3-[[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenylsilyl]-5-cyanophenyl]carbazole-3-carbonitrile
CID 140842601
[3-[3-(4-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588993
[3-[2-(4-dibenzofuran-3-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588361
2-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 134223669
[4-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane
CID 166588195
[5,12-di(dibenzofuran-2-yl)indolo[3,2-c]carbazol-9-yl]-triphenylsilane
CID 172534668
[4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-diphenyl-(3-pyrido[2,3-b]indol-9-ylphenyl)silane
CID 140842382

Frequently Asked Questions

What is the IUPAC name of [3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-(4-bromophenyl)-diphenylsilane?
The IUPAC name of [3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-(4-bromophenyl)-diphenylsilane (CID 140842642) is [3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-(4-bromophenyl)-diphenylsilane.
What is the SMILES notation for [3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-(4-bromophenyl)-diphenylsilane?
The canonical SMILES for [3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-(4-bromophenyl)-diphenylsilane is Brc1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2)cc1.
What is the InChIKey of [3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-(4-bromophenyl)-diphenylsilane?
The InChIKey is KQINVQRUMXFKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28BrNOSi/c43-29-22-24-33(25-23-29)46(31-13-3-1-4-14-31,32-15-5-2-6-16-32)34-17-11-12-30(28-34)44-38-20-9-7-19-37(38)41-39(44)27-26-36-35-18-8-10-21-40(35)45-42(36)41/h1-28H.
What are the key properties of [3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-(4-bromophenyl)-diphenylsilane?
[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-(4-bromophenyl)-diphenylsilane has a molecular weight of 670.68 g/mol, XLogP of 8.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-(4-bromophenyl)-diphenylsilane is sourced from PubChem (CID 140842642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).