(5-dibenzofuran-4-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-yl)-diphenyl-(4-phenylphenyl)silane

C67H43NOSi — CID 169044622

IUPAC(5-dibenzofuran-4-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-yl)-diphenyl-(4-phenylphenyl)silane
SMILESc1ccc(-c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccc4c(c3)-n3c5ccc(-c6cccc7c6oc6ccccc67)cc5c5cccc(c53)C43c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C67H43NOSi/c1-4-18-44(19-5-1)45-34-37-49(38-35-45)70(47-20-6-2-7-21-47,48-22-8-3-9-23-48)50-39-40-60-63(43-50)68-62-41-36-46(51-27-16-29-56-54-26-12-15-33-64(54)69-66(51)56)42-57(62)55-28-17-32-61(65(55)68)67(60)58-30-13-10-24-52(58)53-25-11-14-31-59(53)67/h1-43H
InChIKeyWILNONJCDBIGJF-UHFFFAOYSA-N
MW906.17 g/mol
LogP14.07
Rot. Bonds6

About (5-dibenzofuran-4-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-yl)-diphenyl-(4-phenylphenyl)silane

(5-dibenzofuran-4-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-yl)-diphenyl-(4-phenylphenyl)silane (PubChem CID 169044622) has the molecular formula C67H43NOSi and a molecular weight of 906.17 g/mol. Its IUPAC name is (5-dibenzofuran-4-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-yl)-diphenyl-(4-phenylphenyl)silane.

Molecular Properties

Compound Name(5-dibenzofuran-4-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-yl)-diphenyl-(4-phenylphenyl)silane
PubChem CID169044622
Molecular FormulaC67H43NOSi
Molecular Weight906.17 g/mol
Exact Mass905.31
IUPAC Name(5-dibenzofuran-4-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-yl)-diphenyl-(4-phenylphenyl)silane
SMILESc1ccc(-c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccc4c(c3)-n3c5ccc(-c6cccc7c6oc6ccccc67)cc5c5cccc(c53)C43c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C67H43NOSi/c1-4-18-44(19-5-1)45-34-37-49(38-35-45)70(47-20-6-2-7-21-47,48-22-8-3-9-23-48)50-39-40-60-63(43-50)68-62-41-36-46(51-27-16-29-56-54-26-12-15-33-64(54)69-66(51)56)42-57(62)55-28-17-32-61(65(55)68)67(60)58-30-13-10-24-52(58)53-25-11-14-31-59(53)67/h1-43H
InChIKeyWILNONJCDBIGJF-UHFFFAOYSA-N
XLogP14.07
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500906.17
LogP ≤ 514.07
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'}

Analyze (5-dibenzofuran-4-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-yl)-diphenyl-(4-phenylphenyl)silane with MolForge

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Related Compounds

(3,5-diphenylphenyl)-diphenyl-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-ylsilane
CID 169044702
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9-[6-[4-[(9,9-diphenylfluoren-2-yl)-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-ylamino]phenyl]dibenzofuran-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14(19),15,17-nonaene-13,9'-fluorene]-17-amine
CID 135181305
N-(4-dibenzofuran-4-ylphenyl)-2-(2-phenylphenyl)-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)aniline
CID 135166911
6-dibenzofuran-4-yl-1,3,9-triphenylcarbazole
CID 123910870
5'-(4-dibenzofuran-4-ylphenyl)-2'-[9-(3-phenylphenyl)carbazol-3-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 134313263
2'-dibenzofuran-4-yl-5'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine] 5'-oxide
CID 135140085
8-dibenzofuran-4-yl-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 118020112
[3-[6-dibenzofuran-4-yl-2-(3-phenylcarbazol-9-yl)pyrimidin-4-yl]phenyl]-phenyl-bis(3-phenylphenyl)silane
CID 168836422
[3-[6-dibenzofuran-4-yl-2-(3-phenylcarbazol-9-yl)pyrimidin-4-yl]phenyl]-diphenyl-(3-phenylphenyl)silane
CID 168836375
17-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]
CID 139521170
12-(4-dibenzofuran-4-ylphenyl)-3,8,11-triphenylindolo[2,3-a]carbazole
CID 90191500
(3-dibenzofuran-4-ylphenyl)-diphenyl-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]silane
CID 123907174

Frequently Asked Questions

What is the IUPAC name of (5-dibenzofuran-4-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-yl)-diphenyl-(4-phenylphenyl)silane?
The IUPAC name of (5-dibenzofuran-4-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-yl)-diphenyl-(4-phenylphenyl)silane (CID 169044622) is (5-dibenzofuran-4-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-yl)-diphenyl-(4-phenylphenyl)silane.
What is the SMILES notation for (5-dibenzofuran-4-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-yl)-diphenyl-(4-phenylphenyl)silane?
The canonical SMILES for (5-dibenzofuran-4-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-yl)-diphenyl-(4-phenylphenyl)silane is c1ccc(-c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccc4c(c3)-n3c5ccc(-c6cccc7c6oc6ccccc67)cc5c5cccc(c53)C43c4ccccc4-c4ccccc43)cc2)cc1.
What is the InChIKey of (5-dibenzofuran-4-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-yl)-diphenyl-(4-phenylphenyl)silane?
The InChIKey is WILNONJCDBIGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H43NOSi/c1-4-18-44(19-5-1)45-34-37-49(38-35-45)70(47-20-6-2-7-21-47,48-22-8-3-9-23-48)50-39-40-60-63(43-50)68-62-41-36-46(51-27-16-29-56-54-26-12-15-33-64(54)69-66(51)56)42-57(62)55-28-17-32-61(65(55)68)67(60)58-30-13-10-24-52(58)53-25-11-14-31-59(53)67/h1-43H.
What are the key properties of (5-dibenzofuran-4-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-yl)-diphenyl-(4-phenylphenyl)silane?
(5-dibenzofuran-4-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-yl)-diphenyl-(4-phenylphenyl)silane has a molecular weight of 906.17 g/mol, XLogP of 14.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-dibenzofuran-4-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-yl)-diphenyl-(4-phenylphenyl)silane is sourced from PubChem (CID 169044622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).