(8-tert-butylperylen-2-yl)-trimethylsilane

C27H28Si — CID 59664329

IUPAC(8-tert-butylperylen-2-yl)-trimethylsilane
SMILESCC(C)(C)c1cc2cccc3c4cc([Si](C)(C)C)cc5cccc(c(c1)c23)c54
InChIInChI=1S/C27H28Si/c1-27(2,3)19-13-17-9-7-12-22-24-16-20(28(4,5)6)14-18-10-8-11-21(26(18)24)23(15-19)25(17)22/h7-16H,1-6H3
InChIKeySXAJZCQHIRUKJQ-UHFFFAOYSA-N
MW380.61 g/mol
LogP7.58
Rot. Bonds1

About (8-tert-butylperylen-2-yl)-trimethylsilane

(8-tert-butylperylen-2-yl)-trimethylsilane (PubChem CID 59664329) has the molecular formula C27H28Si and a molecular weight of 380.61 g/mol. Its IUPAC name is (8-tert-butylperylen-2-yl)-trimethylsilane.

Molecular Properties

Compound Name(8-tert-butylperylen-2-yl)-trimethylsilane
PubChem CID59664329
Molecular FormulaC27H28Si
Molecular Weight380.61 g/mol
Exact Mass380.20
IUPAC Name(8-tert-butylperylen-2-yl)-trimethylsilane
SMILESCC(C)(C)c1cc2cccc3c4cc([Si](C)(C)C)cc5cccc(c(c1)c23)c54
InChIInChI=1S/C27H28Si/c1-27(2,3)19-13-17-9-7-12-22-24-16-20(28(4,5)6)14-18-10-8-11-21(26(18)24)23(15-19)25(17)22/h7-16H,1-6H3
InChIKeySXAJZCQHIRUKJQ-UHFFFAOYSA-N
XLogP7.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.61
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2,8-bis(2-methylbut-3-en-2-yl)perylene
CID 170691793
2,5-ditert-butylperylene;2-[8,11-ditert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)perylen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;perylene;bis(2,5,8,11-tetratert-butylperylene);4,4,5,5-tetramethyl-2-(5,8,11-tritert-butylperylen-2-yl)-1,3,2-dioxaborolane;2,5,8-tritert-butylperylene
CID 159980923
18-tert-butyl-3,10-bis(3,5-ditert-butylphenyl)octacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(28),2,4,6,8,10,12,14,16(30),17,19,21,23,25(29),26-pentadecaene
CID 156677028
trimethyl-(7-trimethylsilylpyren-2-yl)silane
CID 122203195
14,29,44-tritert-butyltridecacyclo[32.11.1.14,12.119,27.02,33.03,17.06,11.018,32.021,26.036,41.042,46.016,48.031,47]octatetraconta-1(45),2,4,6,8,10,12(48),13,15,17,19,21,23,25,27(47),28,30,32,34,36,38,40,42(46),43-tetracosaene
CID 132518134
9,13-ditert-butyl-3,19-diphenylundecacyclo[22.12.2.17,11.125,29.02,20.04,18.06,16.021,37.034,38.015,40.033,39]tetraconta-1(36),2,4(18),5,7,9,11,13,15(40),16,19,21(37),22,24(38),25,27,29(39),30,32,34-icosaene
CID 123915756
trimethyl-[4-(3-trimethylsilylnaphthalen-1-yl)naphthalen-2-yl]silane
CID 177461088
9,13-ditert-butyl-5,17-diphenylnonacyclo[19.11.1.17,11.02,20.04,18.06,16.023,28.029,33.015,34]tetratriaconta-1(32),2,4(18),5,7(34),8,10,12,14,16,19,21,23,25,27,29(33),30-heptadecaene
CID 58470908
16-tert-butyl-30,42-di(propan-2-yl)pentadecacyclo[26.18.2.22,5.17,14.132,36.03,24.04,21.06,20.08,13.025,47.029,43.031,41.044,48.018,50.040,49]dopentaconta-1,3,5,7(50),8,10,12,14,16,18,20,22,24,26,28,30,32,34,36(49),37,39,41,43,45,47,51-hexacosaene
CID 153474243
2,7-ditert-butylpyrene;ethane
CID 161091366
2,8-bis(3,7-ditert-butylnaphthalen-1-yl)-5,11-dinaphthalen-1-ylperylene
CID 58435343
9,16-ditert-butyl-4-naphthalen-1-yl-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1,4,6,8,10,12,14,16,18-nonaene
CID 58835648

Frequently Asked Questions

What is the IUPAC name of (8-tert-butylperylen-2-yl)-trimethylsilane?
The IUPAC name of (8-tert-butylperylen-2-yl)-trimethylsilane (CID 59664329) is (8-tert-butylperylen-2-yl)-trimethylsilane.
What is the SMILES notation for (8-tert-butylperylen-2-yl)-trimethylsilane?
The canonical SMILES for (8-tert-butylperylen-2-yl)-trimethylsilane is CC(C)(C)c1cc2cccc3c4cc([Si](C)(C)C)cc5cccc(c(c1)c23)c54.
What is the InChIKey of (8-tert-butylperylen-2-yl)-trimethylsilane?
The InChIKey is SXAJZCQHIRUKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28Si/c1-27(2,3)19-13-17-9-7-12-22-24-16-20(28(4,5)6)14-18-10-8-11-21(26(18)24)23(15-19)25(17)22/h7-16H,1-6H3.
What are the key properties of (8-tert-butylperylen-2-yl)-trimethylsilane?
(8-tert-butylperylen-2-yl)-trimethylsilane has a molecular weight of 380.61 g/mol, XLogP of 7.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (8-tert-butylperylen-2-yl)-trimethylsilane is sourced from PubChem (CID 59664329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).