bis(18-carbazol-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)-diphenylsilane

C72H42N2O4Si — CID 59147251

IUPACbis(18-carbazol-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccc3oc4cc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5cc4c3c2)c2ccc3oc4cc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5cc4c3c2)cc1
InChIInChI=1S/C72H42N2O4Si/c1-3-15-45(16-4-1)79(46-17-5-2-6-18-46,47-29-33-67-55(37-47)59-39-57-53-35-43(27-31-65(53)75-69(57)41-71(59)77-67)73-61-23-11-7-19-49(61)50-20-8-12-24-62(50)73)48-30-34-68-56(38-48)60-40-58-54-36-44(28-32-66(54)76-70(58)42-72(60)78-68)74-63-25-13-9-21-51(63)52-22-10-14-26-64(52)74/h1-42H
InChIKeyQDAYXWHJLCSBMX-UHFFFAOYSA-N
MW1027.22 g/mol
LogP16.86
Rot. Bonds6

About bis(18-carbazol-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)-diphenylsilane

bis(18-carbazol-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)-diphenylsilane (PubChem CID 59147251) has the molecular formula C72H42N2O4Si and a molecular weight of 1027.22 g/mol. Its IUPAC name is bis(18-carbazol-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)-diphenylsilane.

Molecular Properties

Compound Namebis(18-carbazol-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)-diphenylsilane
PubChem CID59147251
Molecular FormulaC72H42N2O4Si
Molecular Weight1027.22 g/mol
Exact Mass1026.29
IUPAC Namebis(18-carbazol-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccc3oc4cc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5cc4c3c2)c2ccc3oc4cc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5cc4c3c2)cc1
InChIInChI=1S/C72H42N2O4Si/c1-3-15-45(16-4-1)79(46-17-5-2-6-18-46,47-29-33-67-55(37-47)59-39-57-53-35-43(27-31-65(53)75-69(57)41-71(59)77-67)73-61-23-11-7-19-49(61)50-20-8-12-24-62(50)73)48-30-34-68-56(38-48)60-40-58-54-36-44(28-32-66(54)76-70(58)42-72(60)78-68)74-63-25-13-9-21-51(63)52-22-10-14-26-64(52)74/h1-42H
InChIKeyQDAYXWHJLCSBMX-UHFFFAOYSA-N
XLogP16.86
TPSA62.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001027.22
LogP ≤ 516.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze bis(18-carbazol-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)-diphenylsilane with MolForge

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Related Compounds

[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 140842638
[6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-b]pyridin-3-yl]-triphenylsilane
CID 156664880
[3-[(E)-2-(8-carbazol-9-yldibenzofuran-2-yl)ethenyl]phenyl]-triphenylsilane
CID 140702791
[8-(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-yl]-triphenylsilane
CID 58049752
[3-[3-(7-carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]-triphenylsilane
CID 140702812
[5,12-di(dibenzofuran-2-yl)indolo[3,2-c]carbazol-9-yl]-triphenylsilane
CID 172534668
9-(8-triphenylsilyldibenzofuran-2-yl)carbazole-4-carbonitrile
CID 123762186
diphenyl-(9-phenylcarbazol-3-yl)-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane
CID 89393751
[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 159773868
[9-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]carbazol-3-yl]-triphenylsilane
CID 169052984
[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-triphenylsilane;[3-(3-carbazol-9-yl-6-trimethylsilylcarbazol-9-yl)phenyl]-triphenylsilane;[3-(3-carbazol-9-yl-6-triphenylsilylcarbazol-9-yl)phenyl]-triphenylsilane
CID 165013153
[3-[2-(2-dibenzofuran-3-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588280

Frequently Asked Questions

What is the IUPAC name of bis(18-carbazol-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)-diphenylsilane?
The IUPAC name of bis(18-carbazol-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)-diphenylsilane (CID 59147251) is bis(18-carbazol-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)-diphenylsilane.
What is the SMILES notation for bis(18-carbazol-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)-diphenylsilane?
The canonical SMILES for bis(18-carbazol-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)-diphenylsilane is c1ccc([Si](c2ccccc2)(c2ccc3oc4cc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5cc4c3c2)c2ccc3oc4cc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5cc4c3c2)cc1.
What is the InChIKey of bis(18-carbazol-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)-diphenylsilane?
The InChIKey is QDAYXWHJLCSBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H42N2O4Si/c1-3-15-45(16-4-1)79(46-17-5-2-6-18-46,47-29-33-67-55(37-47)59-39-57-53-35-43(27-31-65(53)75-69(57)41-71(59)77-67)73-61-23-11-7-19-49(61)50-20-8-12-24-62(50)73)48-30-34-68-56(38-48)60-40-58-54-36-44(28-32-66(54)76-70(58)42-72(60)78-68)74-63-25-13-9-21-51(63)52-22-10-14-26-64(52)74/h1-42H.
What are the key properties of bis(18-carbazol-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)-diphenylsilane?
bis(18-carbazol-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)-diphenylsilane has a molecular weight of 1027.22 g/mol, XLogP of 16.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(18-carbazol-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)-diphenylsilane is sourced from PubChem (CID 59147251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).