trimethyl-[6-(11-phenyl-[1]benzothiolo[3,2-c]carbazol-5-yl)dibenzofuran-4-yl]silane

C39H29NOSSi — CID 140721182

IUPACtrimethyl-[6-(11-phenyl-[1]benzothiolo[3,2-c]carbazol-5-yl)dibenzofuran-4-yl]silane
SMILESC[Si](C)(C)c1cccc2c1oc1c(-n3c4ccccc4c4c5sc6c(-c7ccccc7)cccc6c5ccc43)cccc12
InChIInChI=1S/C39H29NOSSi/c1-43(2,3)34-21-11-17-27-26-16-10-20-33(36(26)41-37(27)34)40-31-19-8-7-14-30(31)35-32(40)23-22-29-28-18-9-15-25(38(28)42-39(29)35)24-12-5-4-6-13-24/h4-23H,1-3H3
InChIKeyUAAGOHVUDJODST-UHFFFAOYSA-N
MW587.82 g/mol
LogP11.26
Rot. Bonds3

About trimethyl-[6-(11-phenyl-[1]benzothiolo[3,2-c]carbazol-5-yl)dibenzofuran-4-yl]silane

trimethyl-[6-(11-phenyl-[1]benzothiolo[3,2-c]carbazol-5-yl)dibenzofuran-4-yl]silane (PubChem CID 140721182) has the molecular formula C39H29NOSSi and a molecular weight of 587.82 g/mol. Its IUPAC name is trimethyl-[6-(11-phenyl-[1]benzothiolo[3,2-c]carbazol-5-yl)dibenzofuran-4-yl]silane.

Molecular Properties

Compound Nametrimethyl-[6-(11-phenyl-[1]benzothiolo[3,2-c]carbazol-5-yl)dibenzofuran-4-yl]silane
PubChem CID140721182
Molecular FormulaC39H29NOSSi
Molecular Weight587.82 g/mol
Exact Mass587.17
IUPAC Nametrimethyl-[6-(11-phenyl-[1]benzothiolo[3,2-c]carbazol-5-yl)dibenzofuran-4-yl]silane
SMILESC[Si](C)(C)c1cccc2c1oc1c(-n3c4ccccc4c4c5sc6c(-c7ccccc7)cccc6c5ccc43)cccc12
InChIInChI=1S/C39H29NOSSi/c1-43(2,3)34-21-11-17-27-26-16-10-20-33(36(26)41-37(27)34)40-31-19-8-7-14-30(31)35-32(40)23-22-29-28-18-9-15-25(38(28)42-39(29)35)24-12-5-4-6-13-24/h4-23H,1-3H3
InChIKeyUAAGOHVUDJODST-UHFFFAOYSA-N
XLogP11.26
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.82
LogP ≤ 511.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]carbazole;5-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]carbazole
CID 158212770
5-methyl-11-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 144782003
5-[2-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 164962109
11-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-1-yl-[1]benzothiolo[3,2-c]carbazole
CID 146541355
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(6-phenyldibenzofuran-4-yl)carbazole
CID 139556525
9-dibenzofuran-4-yl-3-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)carbazole;3-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-9-phenylcarbazole;9-[4-[3-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]phenyl]carbazole
CID 164982315
5-[15-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-8-yl]-[1]benzothiolo[3,2-c]carbazole
CID 146259022
5-phenyl-12-(6-phenyldibenzothiophen-4-yl)indolo[3,2-c]carbazole
CID 126656177
9-(8-dibenzothiophen-1-yl-6-phenyldibenzofuran-4-yl)-3-phenylcarbazole;9-(8-dibenzothiophen-2-yl-6-phenyldibenzofuran-4-yl)-3-phenylcarbazole;9-(8-dibenzothiophen-3-yl-6-phenyldibenzofuran-4-yl)-3-phenylcarbazole;9-(8-dibenzothiophen-4-yl-6-phenyldibenzofuran-4-yl)-3-phenylcarbazole
CID 157074673
(Z)-but-2-ene;4-phenyl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-11-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 145021121
3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazole
CID 90211464
5-[9-[3-methyl-4-(4-phenylphenyl)quinolin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-c]carbazole
CID 163504779

Frequently Asked Questions

What is the IUPAC name of trimethyl-[6-(11-phenyl-[1]benzothiolo[3,2-c]carbazol-5-yl)dibenzofuran-4-yl]silane?
The IUPAC name of trimethyl-[6-(11-phenyl-[1]benzothiolo[3,2-c]carbazol-5-yl)dibenzofuran-4-yl]silane (CID 140721182) is trimethyl-[6-(11-phenyl-[1]benzothiolo[3,2-c]carbazol-5-yl)dibenzofuran-4-yl]silane.
What is the SMILES notation for trimethyl-[6-(11-phenyl-[1]benzothiolo[3,2-c]carbazol-5-yl)dibenzofuran-4-yl]silane?
The canonical SMILES for trimethyl-[6-(11-phenyl-[1]benzothiolo[3,2-c]carbazol-5-yl)dibenzofuran-4-yl]silane is C[Si](C)(C)c1cccc2c1oc1c(-n3c4ccccc4c4c5sc6c(-c7ccccc7)cccc6c5ccc43)cccc12.
What is the InChIKey of trimethyl-[6-(11-phenyl-[1]benzothiolo[3,2-c]carbazol-5-yl)dibenzofuran-4-yl]silane?
The InChIKey is UAAGOHVUDJODST-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29NOSSi/c1-43(2,3)34-21-11-17-27-26-16-10-20-33(36(26)41-37(27)34)40-31-19-8-7-14-30(31)35-32(40)23-22-29-28-18-9-15-25(38(28)42-39(29)35)24-12-5-4-6-13-24/h4-23H,1-3H3.
What are the key properties of trimethyl-[6-(11-phenyl-[1]benzothiolo[3,2-c]carbazol-5-yl)dibenzofuran-4-yl]silane?
trimethyl-[6-(11-phenyl-[1]benzothiolo[3,2-c]carbazol-5-yl)dibenzofuran-4-yl]silane has a molecular weight of 587.82 g/mol, XLogP of 11.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[6-(11-phenyl-[1]benzothiolo[3,2-c]carbazol-5-yl)dibenzofuran-4-yl]silane is sourced from PubChem (CID 140721182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).