[9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane

C42H39NSSi2 — CID 163701262

IUPAC[9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc2c(c1)c1cc([Si](C)(C)C)ccc1n2-c1ccc(-c2ccc(-c3cccc4sc5ccccc5c34)cc2)cc1
InChIInChI=1S/C42H39NSSi2/c1-45(2,3)32-22-24-38-36(26-32)37-27-33(46(4,5)6)23-25-39(37)43(38)31-20-18-29(19-21-31)28-14-16-30(17-15-28)34-11-9-13-41-42(34)35-10-7-8-12-40(35)44-41/h7-27H,1-6H3
InChIKeyRPSMWGKMUOUHAA-UHFFFAOYSA-N
MW646.02 g/mol
LogP11.58
Rot. Bonds5

About [9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane

[9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane (PubChem CID 163701262) has the molecular formula C42H39NSSi2 and a molecular weight of 646.02 g/mol. Its IUPAC name is [9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane.

Molecular Properties

Compound Name[9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane
PubChem CID163701262
Molecular FormulaC42H39NSSi2
Molecular Weight646.02 g/mol
Exact Mass645.23
IUPAC Name[9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc2c(c1)c1cc([Si](C)(C)C)ccc1n2-c1ccc(-c2ccc(-c3cccc4sc5ccccc5c34)cc2)cc1
InChIInChI=1S/C42H39NSSi2/c1-45(2,3)32-22-24-38-36(26-32)37-27-33(46(4,5)6)23-25-39(37)43(38)31-20-18-29(19-21-31)28-14-16-30(17-15-28)34-11-9-13-41-42(34)35-10-7-8-12-40(35)44-41/h7-27H,1-6H3
InChIKeyRPSMWGKMUOUHAA-UHFFFAOYSA-N
XLogP11.58
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.02
LogP ≤ 511.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazole;9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-2,7-diphenylcarbazole;bis(9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-3,6-diphenylcarbazole)
CID 167639510
9-(4-dibenzothiophen-1-ylphenyl)-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166961071
3-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole
CID 177077251
2-[9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 166510060
3-dibenzothiophen-1-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118449069
3-carbazol-9-yl-9-[9-[9-(4-phenylphenyl)dibenzothiophen-1-yl]carbazol-3-yl]carbazole
CID 170386269
2-[9-(4-dibenzothiophen-1-ylphenyl)carbazol-4-yl]-9-phenylcarbazole
CID 166510069
3-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]phenyl]-9-phenylcarbazole
CID 154602021
16-(4-dibenzothiophen-1-ylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 147064264
9-dibenzothiophen-2-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170072885
9-dibenzothiophen-3-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170072881
11-[4-(3-dibenzothiophen-1-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 164795265

Frequently Asked Questions

What is the IUPAC name of [9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane?
The IUPAC name of [9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane (CID 163701262) is [9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane.
What is the SMILES notation for [9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane?
The canonical SMILES for [9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane is C[Si](C)(C)c1ccc2c(c1)c1cc([Si](C)(C)C)ccc1n2-c1ccc(-c2ccc(-c3cccc4sc5ccccc5c34)cc2)cc1.
What is the InChIKey of [9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane?
The InChIKey is RPSMWGKMUOUHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H39NSSi2/c1-45(2,3)32-22-24-38-36(26-32)37-27-33(46(4,5)6)23-25-39(37)43(38)31-20-18-29(19-21-31)28-14-16-30(17-15-28)34-11-9-13-41-42(34)35-10-7-8-12-40(35)44-41/h7-27H,1-6H3.
What are the key properties of [9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane?
[9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane has a molecular weight of 646.02 g/mol, XLogP of 11.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane is sourced from PubChem (CID 163701262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).