diphenyl-(9-phenylcarbazol-3-yl)-(thian-4-yl)silane

C35H31NSSi — CID 158013835

IUPACdiphenyl-(9-phenylcarbazol-3-yl)-(thian-4-yl)silane
SMILESc1ccc(-n2c3ccccc3c3cc([Si](c4ccccc4)(c4ccccc4)C4CCSCC4)ccc32)cc1
InChIInChI=1S/C35H31NSSi/c1-4-12-27(13-5-1)36-34-19-11-10-18-32(34)33-26-31(20-21-35(33)36)38(28-14-6-2-7-15-28,29-16-8-3-9-17-29)30-22-24-37-25-23-30/h1-21,26,30H,22-25H2
InChIKeyJNGVOIXKPCZHDM-UHFFFAOYSA-N
MW525.79 g/mol
LogP7.15
Rot. Bonds5

About diphenyl-(9-phenylcarbazol-3-yl)-(thian-4-yl)silane

diphenyl-(9-phenylcarbazol-3-yl)-(thian-4-yl)silane (PubChem CID 158013835) has the molecular formula C35H31NSSi and a molecular weight of 525.79 g/mol. Its IUPAC name is diphenyl-(9-phenylcarbazol-3-yl)-(thian-4-yl)silane.

Molecular Properties

Compound Namediphenyl-(9-phenylcarbazol-3-yl)-(thian-4-yl)silane
PubChem CID158013835
Molecular FormulaC35H31NSSi
Molecular Weight525.79 g/mol
Exact Mass525.19
IUPAC Namediphenyl-(9-phenylcarbazol-3-yl)-(thian-4-yl)silane
SMILESc1ccc(-n2c3ccccc3c3cc([Si](c4ccccc4)(c4ccccc4)C4CCSCC4)ccc32)cc1
InChIInChI=1S/C35H31NSSi/c1-4-12-27(13-5-1)36-34-19-11-10-18-32(34)33-26-31(20-21-35(33)36)38(28-14-6-2-7-15-28,29-16-8-3-9-17-29)30-22-24-37-25-23-30/h1-21,26,30H,22-25H2
InChIKeyJNGVOIXKPCZHDM-UHFFFAOYSA-N
XLogP7.15
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.79
LogP ≤ 57.15
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'}

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Related Compounds

cyclohexyl-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 158356675
diphenyl-(9-phenylcarbazol-3-yl)-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane
CID 89393751
diphenyl-(9-phenylcarbazol-3-yl)-(thian-4-yl)silane;(1-methylazepin-3-yl)-diphenyl-(9-phenylcarbazol-3-yl)silane;(1-methylazepin-4-yl)-diphenyl-(9-phenylcarbazol-3-yl)silane;oxepin-2-yl-diphenyl-(9-phenylcarbazol-3-yl)silane;oxepin-3-yl-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 158013832
(4-methylphenyl)-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 158052706
[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 159773868
bis(11,12-diphenylindolo[2,3-a]carbazol-3-yl)-diphenylsilane
CID 58489663
[9-(4-methylphenyl)carbazol-3-yl]-triphenylsilane
CID 168811108
triphenyl-[4-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]silane
CID 140782739
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
diphenyl-(9-phenylcarbazol-3-yl)-(1,3,5-triazin-2-yl)silane
CID 159922758
bis(4-carbazol-9-ylphenyl)-diphenylsilane
CID 139043550
3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169

Frequently Asked Questions

What is the IUPAC name of diphenyl-(9-phenylcarbazol-3-yl)-(thian-4-yl)silane?
The IUPAC name of diphenyl-(9-phenylcarbazol-3-yl)-(thian-4-yl)silane (CID 158013835) is diphenyl-(9-phenylcarbazol-3-yl)-(thian-4-yl)silane.
What is the SMILES notation for diphenyl-(9-phenylcarbazol-3-yl)-(thian-4-yl)silane?
The canonical SMILES for diphenyl-(9-phenylcarbazol-3-yl)-(thian-4-yl)silane is c1ccc(-n2c3ccccc3c3cc([Si](c4ccccc4)(c4ccccc4)C4CCSCC4)ccc32)cc1.
What is the InChIKey of diphenyl-(9-phenylcarbazol-3-yl)-(thian-4-yl)silane?
The InChIKey is JNGVOIXKPCZHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31NSSi/c1-4-12-27(13-5-1)36-34-19-11-10-18-32(34)33-26-31(20-21-35(33)36)38(28-14-6-2-7-15-28,29-16-8-3-9-17-29)30-22-24-37-25-23-30/h1-21,26,30H,22-25H2.
What are the key properties of diphenyl-(9-phenylcarbazol-3-yl)-(thian-4-yl)silane?
diphenyl-(9-phenylcarbazol-3-yl)-(thian-4-yl)silane has a molecular weight of 525.79 g/mol, XLogP of 7.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-(9-phenylcarbazol-3-yl)-(thian-4-yl)silane is sourced from PubChem (CID 158013835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).