2-(2,3,6,7,8,9-hexakis-phenyl-4-thiophen-2-yl-5-silaspiro[4.4]nona-1,3,6,8-tetraen-1-yl)thiophene

C52H36S2Si — CID 102191393

IUPAC2-(2,3,6,7,8,9-hexakis-phenyl-4-thiophen-2-yl-5-silaspiro[4.4]nona-1,3,6,8-tetraen-1-yl)thiophene
SMILESc1ccc(C2=C(c3ccccc3)[Si]3(C(c4ccccc4)=C2c2ccccc2)C(c2cccs2)=C(c2ccccc2)C(c2ccccc2)=C3c2cccs2)cc1
InChIInChI=1S/C52H36S2Si/c1-7-21-37(22-8-1)45-46(38-23-9-2-10-24-38)50(42-31-17-6-18-32-42)55(49(45)41-29-15-5-16-30-41)51(43-33-19-35-53-43)47(39-25-11-3-12-26-39)48(40-27-13-4-14-28-40)52(55)44-34-20-36-54-44/h1-36H
InChIKeyGTXQWWIFBIIMIQ-UHFFFAOYSA-N
MW753.08 g/mol
LogP14.19
Rot. Bonds8

About 2-(2,3,6,7,8,9-hexakis-phenyl-4-thiophen-2-yl-5-silaspiro[4.4]nona-1,3,6,8-tetraen-1-yl)thiophene

2-(2,3,6,7,8,9-hexakis-phenyl-4-thiophen-2-yl-5-silaspiro[4.4]nona-1,3,6,8-tetraen-1-yl)thiophene (PubChem CID 102191393) has the molecular formula C52H36S2Si and a molecular weight of 753.08 g/mol. Its IUPAC name is 2-(2,3,6,7,8,9-hexakis-phenyl-4-thiophen-2-yl-5-silaspiro[4.4]nona-1,3,6,8-tetraen-1-yl)thiophene.

Molecular Properties

Compound Name2-(2,3,6,7,8,9-hexakis-phenyl-4-thiophen-2-yl-5-silaspiro[4.4]nona-1,3,6,8-tetraen-1-yl)thiophene
PubChem CID102191393
Molecular FormulaC52H36S2Si
Molecular Weight753.08 g/mol
Exact Mass752.20
IUPAC Name2-(2,3,6,7,8,9-hexakis-phenyl-4-thiophen-2-yl-5-silaspiro[4.4]nona-1,3,6,8-tetraen-1-yl)thiophene
SMILESc1ccc(C2=C(c3ccccc3)[Si]3(C(c4ccccc4)=C2c2ccccc2)C(c2cccs2)=C(c2ccccc2)C(c2ccccc2)=C3c2cccs2)cc1
InChIInChI=1S/C52H36S2Si/c1-7-21-37(22-8-1)45-46(38-23-9-2-10-24-38)50(42-31-17-6-18-32-42)55(49(45)41-29-15-5-16-30-41)51(43-33-19-35-53-43)47(39-25-11-3-12-26-39)48(40-27-13-4-14-28-40)52(55)44-34-20-36-54-44/h1-36H
InChIKeyGTXQWWIFBIIMIQ-UHFFFAOYSA-N
XLogP14.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.08
LogP ≤ 514.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1-dimethyl-2,3,4,5-tetraphenylsilole
CID 139118741
6-phenylcyclopenta[b]thiopyran
CID 175596578
1-tert-butyl-1-(1-tert-butyl-2,3,4,5-tetraphenylsilol-1-yl)-2,3,4,5-tetraphenylsilole
CID 14661892
1-chloro-1-methyl-2,3,4,5-tetraphenylsilole
CID 12722878
3-(4-phenylphenyl)-2-(2-thiophen-2-ylthiophen-3-yl)thiophene
CID 175170754
1-methyl-1-[2-(1-methyl-2,3,4,5-tetraphenylsilol-1-yl)ethyl]-2,3,4,5-tetraphenylsilole
CID 13131416
2-(3,4-diphenylphenyl)thiophene
CID 150825396
4-(4-thiophen-2-ylphenyl)benzoic acid
CID 53472759
5-[5-(1-benzothiophen-5-yl)-1,1-dimethyl-3,4-diphenylsilol-2-yl]-1-benzothiophene
CID 122365519
5-phenyl-2-thiophen-2-yl-1,3-oxazole
CID 4303653
5-phenyl-N,N-bis(5-phenyl-2-thiophen-2-ylphenyl)-2-thiophen-2-ylaniline
CID 175210688
2-[2,3,4-tris(4-naphthalen-2-ylphenyl)-1,6,7-triphenyl-5-thiophen-2-ylcyclopenta[a]inden-8-yl]thiophene
CID 123663104

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,6,7,8,9-hexakis-phenyl-4-thiophen-2-yl-5-silaspiro[4.4]nona-1,3,6,8-tetraen-1-yl)thiophene?
The IUPAC name of 2-(2,3,6,7,8,9-hexakis-phenyl-4-thiophen-2-yl-5-silaspiro[4.4]nona-1,3,6,8-tetraen-1-yl)thiophene (CID 102191393) is 2-(2,3,6,7,8,9-hexakis-phenyl-4-thiophen-2-yl-5-silaspiro[4.4]nona-1,3,6,8-tetraen-1-yl)thiophene.
What is the SMILES notation for 2-(2,3,6,7,8,9-hexakis-phenyl-4-thiophen-2-yl-5-silaspiro[4.4]nona-1,3,6,8-tetraen-1-yl)thiophene?
The canonical SMILES for 2-(2,3,6,7,8,9-hexakis-phenyl-4-thiophen-2-yl-5-silaspiro[4.4]nona-1,3,6,8-tetraen-1-yl)thiophene is c1ccc(C2=C(c3ccccc3)[Si]3(C(c4ccccc4)=C2c2ccccc2)C(c2cccs2)=C(c2ccccc2)C(c2ccccc2)=C3c2cccs2)cc1.
What is the InChIKey of 2-(2,3,6,7,8,9-hexakis-phenyl-4-thiophen-2-yl-5-silaspiro[4.4]nona-1,3,6,8-tetraen-1-yl)thiophene?
The InChIKey is GTXQWWIFBIIMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36S2Si/c1-7-21-37(22-8-1)45-46(38-23-9-2-10-24-38)50(42-31-17-6-18-32-42)55(49(45)41-29-15-5-16-30-41)51(43-33-19-35-53-43)47(39-25-11-3-12-26-39)48(40-27-13-4-14-28-40)52(55)44-34-20-36-54-44/h1-36H.
What are the key properties of 2-(2,3,6,7,8,9-hexakis-phenyl-4-thiophen-2-yl-5-silaspiro[4.4]nona-1,3,6,8-tetraen-1-yl)thiophene?
2-(2,3,6,7,8,9-hexakis-phenyl-4-thiophen-2-yl-5-silaspiro[4.4]nona-1,3,6,8-tetraen-1-yl)thiophene has a molecular weight of 753.08 g/mol, XLogP of 14.19, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,6,7,8,9-hexakis-phenyl-4-thiophen-2-yl-5-silaspiro[4.4]nona-1,3,6,8-tetraen-1-yl)thiophene is sourced from PubChem (CID 102191393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).