[2-[11-(3-carbazol-9-ylphenyl)-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaen-5-yl]phenyl]-triphenylsilane

C66H45BN2OSi — CID 177105165

IUPAC[2-[11-(3-carbazol-9-ylphenyl)-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaen-5-yl]phenyl]-triphenylsilane
SMILESc1ccc(N2B3c4ccc(-c5ccccc5[Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4Oc4cc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc(c43)-c3ccccc32)cc1
InChIInChI=1S/C66H45BN2OSi/c1-5-23-49(24-6-1)69-62-38-19-15-35-57(62)58-43-48(46-22-21-25-50(42-46)68-60-36-17-13-33-55(60)56-34-14-18-37-61(56)68)45-64-66(58)67(69)59-41-40-47(44-63(59)70-64)54-32-16-20-39-65(54)71(51-26-7-2-8-27-51,52-28-9-3-10-29-52)53-30-11-4-12-31-53/h1-45H
InChIKeyGQLVVTNQNBTRQG-UHFFFAOYSA-N
MW921.00 g/mol
LogP12.53
Rot. Bonds8

About [2-[11-(3-carbazol-9-ylphenyl)-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaen-5-yl]phenyl]-triphenylsilane

[2-[11-(3-carbazol-9-ylphenyl)-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaen-5-yl]phenyl]-triphenylsilane (PubChem CID 177105165) has the molecular formula C66H45BN2OSi and a molecular weight of 921.00 g/mol. Its IUPAC name is [2-[11-(3-carbazol-9-ylphenyl)-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaen-5-yl]phenyl]-triphenylsilane.

Molecular Properties

Compound Name[2-[11-(3-carbazol-9-ylphenyl)-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaen-5-yl]phenyl]-triphenylsilane
PubChem CID177105165
Molecular FormulaC66H45BN2OSi
Molecular Weight921.00 g/mol
Exact Mass920.34
IUPAC Name[2-[11-(3-carbazol-9-ylphenyl)-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaen-5-yl]phenyl]-triphenylsilane
SMILESc1ccc(N2B3c4ccc(-c5ccccc5[Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4Oc4cc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc(c43)-c3ccccc32)cc1
InChIInChI=1S/C66H45BN2OSi/c1-5-23-49(24-6-1)69-62-38-19-15-35-57(62)58-43-48(46-22-21-25-50(42-46)68-60-36-17-13-33-55(60)56-34-14-18-37-61(56)68)45-64-66(58)67(69)59-41-40-47(44-63(59)70-64)54-32-16-20-39-65(54)71(51-26-7-2-8-27-51,52-28-9-3-10-29-52)53-30-11-4-12-31-53/h1-45H
InChIKeyGQLVVTNQNBTRQG-UHFFFAOYSA-N
XLogP12.53
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500921.00
LogP ≤ 512.53
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-[11-(3-carbazol-9-ylphenyl)-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaen-5-yl]phenyl]-triphenylsilane with MolForge

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Related Compounds

[3-[5-(2-carbazol-9-ylphenyl)-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaen-11-yl]phenyl]-triphenylsilane
CID 177103627
5-carbazol-9-yl-11-(2-carbazol-9-ylphenyl)-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaene
CID 177103695
[2-[5-(2-carbazol-9-ylphenyl)-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaen-11-yl]phenyl]-triphenylsilane
CID 177103734
11-carbazol-9-yl-20-phenyl-17-(3-phenylphenyl)-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaene
CID 177105011
9-[3-(11-phenyl-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaen-5-yl)phenyl]carbazole
CID 177104152
[3-(5-carbazol-9-yl-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaen-11-yl)phenyl]-triphenylsilane
CID 177104035
[3-[16-(3-carbazol-9-ylphenyl)-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaen-11-yl]phenyl]-triphenylsilane
CID 177103656
[3-[11-(3-carbazol-9-ylphenyl)-8-oxa-20-thia-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaen-4-yl]phenyl]-triphenylsilane
CID 177103673
9-[3-(4,18-diphenyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)phenyl]carbazole
CID 144878708
11-(2-carbazol-9-ylphenyl)-17-dibenzofuran-3-yl-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaene
CID 177103943
9-[3-[5-(4-carbazol-9-ylphenyl)-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaen-11-yl]phenyl]carbazole
CID 177104771
[11-(3-carbazol-9-ylphenyl)-8-oxa-20-thia-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaen-4-yl]-triphenylsilane
CID 177104033

Frequently Asked Questions

What is the IUPAC name of [2-[11-(3-carbazol-9-ylphenyl)-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaen-5-yl]phenyl]-triphenylsilane?
The IUPAC name of [2-[11-(3-carbazol-9-ylphenyl)-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaen-5-yl]phenyl]-triphenylsilane (CID 177105165) is [2-[11-(3-carbazol-9-ylphenyl)-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaen-5-yl]phenyl]-triphenylsilane.
What is the SMILES notation for [2-[11-(3-carbazol-9-ylphenyl)-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaen-5-yl]phenyl]-triphenylsilane?
The canonical SMILES for [2-[11-(3-carbazol-9-ylphenyl)-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaen-5-yl]phenyl]-triphenylsilane is c1ccc(N2B3c4ccc(-c5ccccc5[Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4Oc4cc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc(c43)-c3ccccc32)cc1.
What is the InChIKey of [2-[11-(3-carbazol-9-ylphenyl)-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaen-5-yl]phenyl]-triphenylsilane?
The InChIKey is GQLVVTNQNBTRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45BN2OSi/c1-5-23-49(24-6-1)69-62-38-19-15-35-57(62)58-43-48(46-22-21-25-50(42-46)68-60-36-17-13-33-55(60)56-34-14-18-37-61(56)68)45-64-66(58)67(69)59-41-40-47(44-63(59)70-64)54-32-16-20-39-65(54)71(51-26-7-2-8-27-51,52-28-9-3-10-29-52)53-30-11-4-12-31-53/h1-45H.
What are the key properties of [2-[11-(3-carbazol-9-ylphenyl)-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaen-5-yl]phenyl]-triphenylsilane?
[2-[11-(3-carbazol-9-ylphenyl)-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaen-5-yl]phenyl]-triphenylsilane has a molecular weight of 921.00 g/mol, XLogP of 12.53, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[11-(3-carbazol-9-ylphenyl)-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaen-5-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 177105165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).