[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenyl-(9-phenyl-6,7-dihydrocarbazol-2-yl)silane

C54H38N2OSi — CID 165031669

IUPAC[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenyl-(9-phenyl-6,7-dihydrocarbazol-2-yl)silane
SMILESC1=c2c(n(-c3ccccc3)c3cc([Si](c4ccccc4)(c4ccccc4)c4ccc(-n5c6ccccc6c6ccc7oc8ccccc8c7c65)cc4)ccc23)=CCC1
InChIInChI=1S/C54H38N2OSi/c1-4-16-37(17-5-1)55-48-25-13-10-22-43(48)45-33-32-42(36-50(45)55)58(39-18-6-2-7-19-39,40-20-8-3-9-21-40)41-30-28-38(29-31-41)56-49-26-14-11-23-44(49)46-34-35-52-53(54(46)56)47-24-12-15-27-51(47)57-52/h1-9,11-12,14-36H,10,13H2
InChIKeyMTDUKOJQNBAEOU-UHFFFAOYSA-N
MW759.00 g/mol
LogP9.36
Rot. Bonds6

About [4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenyl-(9-phenyl-6,7-dihydrocarbazol-2-yl)silane

[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenyl-(9-phenyl-6,7-dihydrocarbazol-2-yl)silane (PubChem CID 165031669) has the molecular formula C54H38N2OSi and a molecular weight of 759.00 g/mol. Its IUPAC name is [4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenyl-(9-phenyl-6,7-dihydrocarbazol-2-yl)silane.

Molecular Properties

Compound Name[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenyl-(9-phenyl-6,7-dihydrocarbazol-2-yl)silane
PubChem CID165031669
Molecular FormulaC54H38N2OSi
Molecular Weight759.00 g/mol
Exact Mass758.28
IUPAC Name[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenyl-(9-phenyl-6,7-dihydrocarbazol-2-yl)silane
SMILESC1=c2c(n(-c3ccccc3)c3cc([Si](c4ccccc4)(c4ccccc4)c4ccc(-n5c6ccccc6c6ccc7oc8ccccc8c7c65)cc4)ccc23)=CCC1
InChIInChI=1S/C54H38N2OSi/c1-4-16-37(17-5-1)55-48-25-13-10-22-43(48)45-33-32-42(36-50(45)55)58(39-18-6-2-7-19-39,40-20-8-3-9-21-40)41-30-28-38(29-31-41)56-49-26-14-11-23-44(49)46-34-35-52-53(54(46)56)47-24-12-15-27-51(47)57-52/h1-9,11-12,14-36H,10,13H2
InChIKeyMTDUKOJQNBAEOU-UHFFFAOYSA-N
XLogP9.36
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.00
LogP ≤ 59.36
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'}

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Related Compounds

triphenyl-(12-phenyl-[1]benzofuro[3,2-a]carbazol-9-yl)silane
CID 58489529
[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
9-[4-[[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenylsilyl]phenyl]carbazole-3,6-dicarbonitrile
CID 140842346
15-phenyl-11-[4-(6-phenyl-2-pyridinyl)phenyl]-24-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene
CID 129141905
[5,12-di(dibenzofuran-2-yl)indolo[3,2-c]carbazol-9-yl]-triphenylsilane
CID 172534668
12-[3-[4,6-bis[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
CID 126630971
diphenyl-bis[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]silane
CID 88576991
(3-carbazol-9-ylphenyl)-[3-(1-dibenzofuran-1-ylcarbazol-9-yl)phenyl]-diphenylsilane
CID 177073528
triphenyl-[9-(9-phenylcarbazol-1-yl)carbazol-2-yl]silane
CID 170515043
dibenzofuran-2-yl-diphenyl-[4-[6-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)pyrimidin-4-yl]phenyl]silane
CID 168842587
12-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole
CID 164954211
12-[3-phenyl-5-(3-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 156674049

Frequently Asked Questions

What is the IUPAC name of [4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenyl-(9-phenyl-6,7-dihydrocarbazol-2-yl)silane?
The IUPAC name of [4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenyl-(9-phenyl-6,7-dihydrocarbazol-2-yl)silane (CID 165031669) is [4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenyl-(9-phenyl-6,7-dihydrocarbazol-2-yl)silane.
What is the SMILES notation for [4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenyl-(9-phenyl-6,7-dihydrocarbazol-2-yl)silane?
The canonical SMILES for [4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenyl-(9-phenyl-6,7-dihydrocarbazol-2-yl)silane is C1=c2c(n(-c3ccccc3)c3cc([Si](c4ccccc4)(c4ccccc4)c4ccc(-n5c6ccccc6c6ccc7oc8ccccc8c7c65)cc4)ccc23)=CCC1.
What is the InChIKey of [4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenyl-(9-phenyl-6,7-dihydrocarbazol-2-yl)silane?
The InChIKey is MTDUKOJQNBAEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2OSi/c1-4-16-37(17-5-1)55-48-25-13-10-22-43(48)45-33-32-42(36-50(45)55)58(39-18-6-2-7-19-39,40-20-8-3-9-21-40)41-30-28-38(29-31-41)56-49-26-14-11-23-44(49)46-34-35-52-53(54(46)56)47-24-12-15-27-51(47)57-52/h1-9,11-12,14-36H,10,13H2.
What are the key properties of [4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenyl-(9-phenyl-6,7-dihydrocarbazol-2-yl)silane?
[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenyl-(9-phenyl-6,7-dihydrocarbazol-2-yl)silane has a molecular weight of 759.00 g/mol, XLogP of 9.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenyl-(9-phenyl-6,7-dihydrocarbazol-2-yl)silane is sourced from PubChem (CID 165031669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).