[3-[6-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]dibenzothiophen-4-yl]phenyl]-triphenylsilane

C60H39NSSi — CID 174116556

IUPAC[3-[6-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]dibenzothiophen-4-yl]phenyl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3cccc4c3sc3c(-c5cccc(-c6cc7c8ccccc8n8c9ccccc9c(c6)c78)c5)cccc34)c2)cc1
InChIInChI=1S/C60H39NSSi/c1-4-21-44(22-5-1)63(45-23-6-2-7-24-45,46-25-8-3-9-26-46)47-27-15-20-42(37-47)49-31-17-33-53-52-32-16-30-48(59(52)62-60(49)53)41-19-14-18-40(36-41)43-38-54-50-28-10-12-34-56(50)61-57-35-13-11-29-51(57)55(39-43)58(54)61/h1-39H
InChIKeyQDIANQWJFNPTIX-UHFFFAOYSA-N
MW834.13 g/mol
LogP13.58
Rot. Bonds7

About [3-[6-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]dibenzothiophen-4-yl]phenyl]-triphenylsilane

[3-[6-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]dibenzothiophen-4-yl]phenyl]-triphenylsilane (PubChem CID 174116556) has the molecular formula C60H39NSSi and a molecular weight of 834.13 g/mol. Its IUPAC name is [3-[6-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]dibenzothiophen-4-yl]phenyl]-triphenylsilane.

Molecular Properties

Compound Name[3-[6-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]dibenzothiophen-4-yl]phenyl]-triphenylsilane
PubChem CID174116556
Molecular FormulaC60H39NSSi
Molecular Weight834.13 g/mol
Exact Mass833.26
IUPAC Name[3-[6-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]dibenzothiophen-4-yl]phenyl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3cccc4c3sc3c(-c5cccc(-c6cc7c8ccccc8n8c9ccccc9c(c6)c78)c5)cccc34)c2)cc1
InChIInChI=1S/C60H39NSSi/c1-4-21-44(22-5-1)63(45-23-6-2-7-24-45,46-25-8-3-9-26-46)47-27-15-20-42(37-47)49-31-17-33-53-52-32-16-30-48(59(52)62-60(49)53)41-19-14-18-40(36-41)43-38-54-50-28-10-12-34-56(50)61-57-35-13-11-29-51(57)55(39-43)58(54)61/h1-39H
InChIKeyQDIANQWJFNPTIX-UHFFFAOYSA-N
XLogP13.58
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.13
LogP ≤ 513.58
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 [3-[6-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]dibenzothiophen-4-yl]phenyl]-triphenylsilane with MolForge

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Related Compounds

bis(3-dibenzothiophen-4-ylphenyl)-diphenylsilane;(3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;(4-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;(3-carbazol-9-ylphenyl)-(3-dibenzothiophen-4-ylphenyl)-diphenylsilane;5-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;10-[3-(3-triphenylen-2-ylphenyl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 160986362
4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 122471136
bis(3-carbazol-9-ylphenyl)-diphenylsilane;9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole
CID 161133194
[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(3-dibenzothiophen-4-ylphenyl)phenyl]-triphenylsilane;[3-(3-carbazol-9-ylphenyl)-5-dibenzothiophen-4-ylphenyl]-triphenylsilane;[3-[3-(3-carbazol-9-ylphenyl)phenyl]-5-dibenzothiophen-4-ylphenyl]-triphenylsilane;[3-dibenzothiophen-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]-triphenylsilane
CID 159703445
24-(3-dibenzothiophen-4-ylphenyl)-32-thia-20-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(31),2(7),3,5,8(13),9,11,14,16,18,21(26),22,24,27,29-pentadecaene
CID 139574824
1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl(triphenyl)silane
CID 59221914
3-dibenzothiophen-4-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole;triphenyl-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]silane
CID 164968186
triphenyl-[3-[2-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane
CID 169290688
5,10-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 162740169
10-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 176879986
2,4-diphenyl-6-[3-phenyl-5-[6-(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine
CID 118650920
5-[3-(3-phenylphenyl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-[4-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 158643632

Frequently Asked Questions

What is the IUPAC name of [3-[6-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]dibenzothiophen-4-yl]phenyl]-triphenylsilane?
The IUPAC name of [3-[6-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]dibenzothiophen-4-yl]phenyl]-triphenylsilane (CID 174116556) is [3-[6-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]dibenzothiophen-4-yl]phenyl]-triphenylsilane.
What is the SMILES notation for [3-[6-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]dibenzothiophen-4-yl]phenyl]-triphenylsilane?
The canonical SMILES for [3-[6-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]dibenzothiophen-4-yl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3cccc4c3sc3c(-c5cccc(-c6cc7c8ccccc8n8c9ccccc9c(c6)c78)c5)cccc34)c2)cc1.
What is the InChIKey of [3-[6-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]dibenzothiophen-4-yl]phenyl]-triphenylsilane?
The InChIKey is QDIANQWJFNPTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39NSSi/c1-4-21-44(22-5-1)63(45-23-6-2-7-24-45,46-25-8-3-9-26-46)47-27-15-20-42(37-47)49-31-17-33-53-52-32-16-30-48(59(52)62-60(49)53)41-19-14-18-40(36-41)43-38-54-50-28-10-12-34-56(50)61-57-35-13-11-29-51(57)55(39-43)58(54)61/h1-39H.
What are the key properties of [3-[6-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]dibenzothiophen-4-yl]phenyl]-triphenylsilane?
[3-[6-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]dibenzothiophen-4-yl]phenyl]-triphenylsilane has a molecular weight of 834.13 g/mol, XLogP of 13.58, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]dibenzothiophen-4-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 174116556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).