[2-(1-carbazol-9-ylcarbazol-9-yl)-1-phenyldibenzothiophen-3-yl]-trimethylsilane

C45H34N2SSi — CID 177105302

IUPAC[2-(1-carbazol-9-ylcarbazol-9-yl)-1-phenyldibenzothiophen-3-yl]-trimethylsilane
SMILESC[Si](C)(C)c1cc2sc3ccccc3c2c(-c2ccccc2)c1-n1c2ccccc2c2cccc(-n3c4ccccc4c4ccccc43)c21
InChIInChI=1S/C45H34N2SSi/c1-49(2,3)41-28-40-43(34-21-10-14-27-39(34)48-40)42(29-16-5-4-6-17-29)45(41)47-37-25-13-9-20-32(37)33-22-15-26-38(44(33)47)46-35-23-11-7-18-30(35)31-19-8-12-24-36(31)46/h4-28H,1-3H3
InChIKeyQYRFQVAWNIFABX-UHFFFAOYSA-N
MW662.93 g/mol
LogP12.46
Rot. Bonds4

About [2-(1-carbazol-9-ylcarbazol-9-yl)-1-phenyldibenzothiophen-3-yl]-trimethylsilane

[2-(1-carbazol-9-ylcarbazol-9-yl)-1-phenyldibenzothiophen-3-yl]-trimethylsilane (PubChem CID 177105302) has the molecular formula C45H34N2SSi and a molecular weight of 662.93 g/mol. Its IUPAC name is [2-(1-carbazol-9-ylcarbazol-9-yl)-1-phenyldibenzothiophen-3-yl]-trimethylsilane.

Molecular Properties

Compound Name[2-(1-carbazol-9-ylcarbazol-9-yl)-1-phenyldibenzothiophen-3-yl]-trimethylsilane
PubChem CID177105302
Molecular FormulaC45H34N2SSi
Molecular Weight662.93 g/mol
Exact Mass662.22
IUPAC Name[2-(1-carbazol-9-ylcarbazol-9-yl)-1-phenyldibenzothiophen-3-yl]-trimethylsilane
SMILESC[Si](C)(C)c1cc2sc3ccccc3c2c(-c2ccccc2)c1-n1c2ccccc2c2cccc(-n3c4ccccc4c4ccccc43)c21
InChIInChI=1S/C45H34N2SSi/c1-49(2,3)41-28-40-43(34-21-10-14-27-39(34)48-40)42(29-16-5-4-6-17-29)45(41)47-37-25-13-9-20-32(37)33-22-15-26-38(44(33)47)46-35-23-11-7-18-30(35)31-19-8-12-24-36(31)46/h4-28H,1-3H3
InChIKeyQYRFQVAWNIFABX-UHFFFAOYSA-N
XLogP12.46
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.93
LogP ≤ 512.46
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

3-(9-phenylcarbazol-3-yl)-9-(1-phenyldibenzothiophen-2-yl)carbazole
CID 174371073
9-dibenzothiophen-1-yl-3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazole
CID 90294485
12-[3-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)phenyl]phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 167192716
9-[2-carbazol-9-yl-1-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]carbazole
CID 147457639
12-[2-([1]benzothiolo[3,2-a]carbazol-12-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 167193517
11-(9-phenylcarbazol-1-yl)-[1]benzothiolo[3,2-b]carbazole
CID 118502879
12-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 118503100
1-dibenzothiophen-1-yl-9-phenylcarbazole
CID 137466628
9-[2-(3-dibenzothiophen-1-ylphenyl)phenyl]-3-phenylcarbazole
CID 166037348
12-dibenzothiophen-1-yl-5-(3,5-diphenylphenyl)indolo[3,2-c]carbazole
CID 171414793
9-dibenzothiophen-1-yl-3-(2,6-diphenylpyrimidin-4-yl)carbazole
CID 90291697
8-(9-dibenzothiophen-1-ylcarbazol-3-yl)-11-(3-phenylphenyl)benzo[a]carbazole
CID 167243638

Frequently Asked Questions

What is the IUPAC name of [2-(1-carbazol-9-ylcarbazol-9-yl)-1-phenyldibenzothiophen-3-yl]-trimethylsilane?
The IUPAC name of [2-(1-carbazol-9-ylcarbazol-9-yl)-1-phenyldibenzothiophen-3-yl]-trimethylsilane (CID 177105302) is [2-(1-carbazol-9-ylcarbazol-9-yl)-1-phenyldibenzothiophen-3-yl]-trimethylsilane.
What is the SMILES notation for [2-(1-carbazol-9-ylcarbazol-9-yl)-1-phenyldibenzothiophen-3-yl]-trimethylsilane?
The canonical SMILES for [2-(1-carbazol-9-ylcarbazol-9-yl)-1-phenyldibenzothiophen-3-yl]-trimethylsilane is C[Si](C)(C)c1cc2sc3ccccc3c2c(-c2ccccc2)c1-n1c2ccccc2c2cccc(-n3c4ccccc4c4ccccc43)c21.
What is the InChIKey of [2-(1-carbazol-9-ylcarbazol-9-yl)-1-phenyldibenzothiophen-3-yl]-trimethylsilane?
The InChIKey is QYRFQVAWNIFABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H34N2SSi/c1-49(2,3)41-28-40-43(34-21-10-14-27-39(34)48-40)42(29-16-5-4-6-17-29)45(41)47-37-25-13-9-20-32(37)33-22-15-26-38(44(33)47)46-35-23-11-7-18-30(35)31-19-8-12-24-36(31)46/h4-28H,1-3H3.
What are the key properties of [2-(1-carbazol-9-ylcarbazol-9-yl)-1-phenyldibenzothiophen-3-yl]-trimethylsilane?
[2-(1-carbazol-9-ylcarbazol-9-yl)-1-phenyldibenzothiophen-3-yl]-trimethylsilane has a molecular weight of 662.93 g/mol, XLogP of 12.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-carbazol-9-ylcarbazol-9-yl)-1-phenyldibenzothiophen-3-yl]-trimethylsilane is sourced from PubChem (CID 177105302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).