diphenyl-[4-(9-phenylcarbazol-3-yl)phenyl]-[4-(9-thia-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]silane

C60H40N2SSi — CID 167382317

IUPACdiphenyl-[4-(9-phenylcarbazol-3-yl)phenyl]-[4-(9-thia-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]silane
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccc(-n6c7ccccc7c7c8c(ccc76)sc6ccccc68)cc5)cc4)ccc32)cc1
InChIInChI=1S/C60H40N2SSi/c1-4-16-43(17-5-1)61-53-25-13-10-22-49(53)52-40-42(30-37-55(52)61)41-28-33-47(34-29-41)64(45-18-6-2-7-19-45,46-20-8-3-9-21-46)48-35-31-44(32-36-48)62-54-26-14-11-23-50(54)59-56(62)38-39-58-60(59)51-24-12-15-27-57(51)63-58/h1-40H
InChIKeyRUEBXFYZPSYMJS-UHFFFAOYSA-N
MW849.15 g/mol
LogP13.29
Rot. Bonds7

About diphenyl-[4-(9-phenylcarbazol-3-yl)phenyl]-[4-(9-thia-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]silane

diphenyl-[4-(9-phenylcarbazol-3-yl)phenyl]-[4-(9-thia-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]silane (PubChem CID 167382317) has the molecular formula C60H40N2SSi and a molecular weight of 849.15 g/mol. Its IUPAC name is diphenyl-[4-(9-phenylcarbazol-3-yl)phenyl]-[4-(9-thia-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]silane.

Molecular Properties

Compound Namediphenyl-[4-(9-phenylcarbazol-3-yl)phenyl]-[4-(9-thia-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]silane
PubChem CID167382317
Molecular FormulaC60H40N2SSi
Molecular Weight849.15 g/mol
Exact Mass848.27
IUPAC Namediphenyl-[4-(9-phenylcarbazol-3-yl)phenyl]-[4-(9-thia-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]silane
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccc(-n6c7ccccc7c7c8c(ccc76)sc6ccccc68)cc5)cc4)ccc32)cc1
InChIInChI=1S/C60H40N2SSi/c1-4-16-43(17-5-1)61-53-25-13-10-22-49(53)52-40-42(30-37-55(52)61)41-28-33-47(34-29-41)64(45-18-6-2-7-19-45,46-20-8-3-9-21-46)48-35-31-44(32-36-48)62-54-26-14-11-23-50(54)59-56(62)38-39-58-60(59)51-24-12-15-27-57(51)63-58/h1-40H
InChIKeyRUEBXFYZPSYMJS-UHFFFAOYSA-N
XLogP13.29
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.15
LogP ≤ 513.29
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 diphenyl-[4-(9-phenylcarbazol-3-yl)phenyl]-[4-(9-thia-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]silane with MolForge

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Related Compounds

diphenyl-[4-(9-phenylcarbazol-3-yl)phenyl]-[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]silane
CID 140842607
14-[4-[4-[3-(3-phenylphenyl)carbazol-9-yl]phenyl]phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 167193582
triphenyl-[3-[3-[3-(9-thia-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)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588745
14-phenyl-18-(4-phenylphenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 122593601
14-phenyl-18-(14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 122593675
14-[4-[4-[4-(9-thia-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]phenyl]phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 167193395
triphenyl-[4-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]silane
CID 140782739
3-(18-carbazol-9-yl-9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)-6,9-diphenylcarbazole
CID 59147343
[3-[2-(3-dibenzothiophen-2-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588164
[6-(4-carbazol-9-ylphenyl)-9-phenylcarbazol-2-yl]-triphenylsilane
CID 140778740
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901
3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118148116

Frequently Asked Questions

What is the IUPAC name of diphenyl-[4-(9-phenylcarbazol-3-yl)phenyl]-[4-(9-thia-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]silane?
The IUPAC name of diphenyl-[4-(9-phenylcarbazol-3-yl)phenyl]-[4-(9-thia-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]silane (CID 167382317) is diphenyl-[4-(9-phenylcarbazol-3-yl)phenyl]-[4-(9-thia-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]silane.
What is the SMILES notation for diphenyl-[4-(9-phenylcarbazol-3-yl)phenyl]-[4-(9-thia-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]silane?
The canonical SMILES for diphenyl-[4-(9-phenylcarbazol-3-yl)phenyl]-[4-(9-thia-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]silane is c1ccc(-n2c3ccccc3c3cc(-c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccc(-n6c7ccccc7c7c8c(ccc76)sc6ccccc68)cc5)cc4)ccc32)cc1.
What is the InChIKey of diphenyl-[4-(9-phenylcarbazol-3-yl)phenyl]-[4-(9-thia-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]silane?
The InChIKey is RUEBXFYZPSYMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2SSi/c1-4-16-43(17-5-1)61-53-25-13-10-22-49(53)52-40-42(30-37-55(52)61)41-28-33-47(34-29-41)64(45-18-6-2-7-19-45,46-20-8-3-9-21-46)48-35-31-44(32-36-48)62-54-26-14-11-23-50(54)59-56(62)38-39-58-60(59)51-24-12-15-27-57(51)63-58/h1-40H.
What are the key properties of diphenyl-[4-(9-phenylcarbazol-3-yl)phenyl]-[4-(9-thia-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]silane?
diphenyl-[4-(9-phenylcarbazol-3-yl)phenyl]-[4-(9-thia-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]silane has a molecular weight of 849.15 g/mol, XLogP of 13.29, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[4-(9-phenylcarbazol-3-yl)phenyl]-[4-(9-thia-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]silane is sourced from PubChem (CID 167382317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).