[2,7-ditert-butyl-10c-(trimethylsilylmethyl)pyren-10b-yl]methyl-trimethylsilane

C32H48Si2 — CID 10505167

IUPAC[2,7-ditert-butyl-10c-(trimethylsilylmethyl)pyren-10b-yl]methyl-trimethylsilane
SMILESCC(C)(C)C1=CC2=CC=C3C=C(C(C)(C)C)C=C4C=CC(=C1)[C@]2(C[Si](C)(C)C)[C@]34C[Si](C)(C)C
InChIInChI=1S/C32H48Si2/c1-29(2,3)27-17-23-13-15-25-19-28(30(4,5)6)20-26-16-14-24(18-27)31(23,21-33(7,8)9)32(25,26)22-34(10,11)12/h13-20H,21-22H2,1-12H3/t31-,32-
InChIKeyDMBSOTGATQUHLA-UEOVJWFCSA-N
MW488.91 g/mol
LogP9.90
Rot. Bonds4

About [2,7-ditert-butyl-10c-(trimethylsilylmethyl)pyren-10b-yl]methyl-trimethylsilane

[2,7-ditert-butyl-10c-(trimethylsilylmethyl)pyren-10b-yl]methyl-trimethylsilane (PubChem CID 10505167) has the molecular formula C32H48Si2 and a molecular weight of 488.91 g/mol. Its IUPAC name is [2,7-ditert-butyl-10c-(trimethylsilylmethyl)pyren-10b-yl]methyl-trimethylsilane.

Molecular Properties

Compound Name[2,7-ditert-butyl-10c-(trimethylsilylmethyl)pyren-10b-yl]methyl-trimethylsilane
PubChem CID10505167
Molecular FormulaC32H48Si2
Molecular Weight488.91 g/mol
Exact Mass488.33
IUPAC Name[2,7-ditert-butyl-10c-(trimethylsilylmethyl)pyren-10b-yl]methyl-trimethylsilane
SMILESCC(C)(C)C1=CC2=CC=C3C=C(C(C)(C)C)C=C4C=CC(=C1)[C@]2(C[Si](C)(C)C)[C@]34C[Si](C)(C)C
InChIInChI=1S/C32H48Si2/c1-29(2,3)27-17-23-13-15-25-19-28(30(4,5)6)20-26-16-14-24(18-27)31(23,21-33(7,8)9)32(25,26)22-34(10,11)12/h13-20H,21-22H2,1-12H3/t31-,32-
InChIKeyDMBSOTGATQUHLA-UEOVJWFCSA-N
XLogP9.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.91
LogP ≤ 59.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2,7-ditert-butyl-10c-(trimethylsilylmethyl)pyren-10b-yl]methyl-trimethylsilane?
The IUPAC name of [2,7-ditert-butyl-10c-(trimethylsilylmethyl)pyren-10b-yl]methyl-trimethylsilane (CID 10505167) is [2,7-ditert-butyl-10c-(trimethylsilylmethyl)pyren-10b-yl]methyl-trimethylsilane.
What is the SMILES notation for [2,7-ditert-butyl-10c-(trimethylsilylmethyl)pyren-10b-yl]methyl-trimethylsilane?
The canonical SMILES for [2,7-ditert-butyl-10c-(trimethylsilylmethyl)pyren-10b-yl]methyl-trimethylsilane is CC(C)(C)C1=CC2=CC=C3C=C(C(C)(C)C)C=C4C=CC(=C1)[C@]2(C[Si](C)(C)C)[C@]34C[Si](C)(C)C.
What is the InChIKey of [2,7-ditert-butyl-10c-(trimethylsilylmethyl)pyren-10b-yl]methyl-trimethylsilane?
The InChIKey is DMBSOTGATQUHLA-UEOVJWFCSA-N. The full InChI is InChI=1S/C32H48Si2/c1-29(2,3)27-17-23-13-15-25-19-28(30(4,5)6)20-26-16-14-24(18-27)31(23,21-33(7,8)9)32(25,26)22-34(10,11)12/h13-20H,21-22H2,1-12H3/t31-,32-.
What are the key properties of [2,7-ditert-butyl-10c-(trimethylsilylmethyl)pyren-10b-yl]methyl-trimethylsilane?
[2,7-ditert-butyl-10c-(trimethylsilylmethyl)pyren-10b-yl]methyl-trimethylsilane has a molecular weight of 488.91 g/mol, XLogP of 9.90, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2,7-ditert-butyl-10c-(trimethylsilylmethyl)pyren-10b-yl]methyl-trimethylsilane is sourced from PubChem (CID 10505167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).