trimethyl-[1-[6-(5-trimethylsilyl-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindol-5-yl]silane

C38H40N2Si2 — CID 123393232

IUPACtrimethyl-[1-[6-(5-trimethylsilyl-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindol-5-yl]silane
SMILESC[Si](C)(C)c1ccc2c(c1)CCN2c1ccc2ccc3c(N4CCc5cc([Si](C)(C)C)ccc54)ccc4ccc1c2c43
InChIInChI=1S/C38H40N2Si2/c1-41(2,3)29-11-17-33-27(23-29)19-21-39(33)35-15-9-25-8-14-32-36(16-10-26-7-13-31(35)37(25)38(26)32)40-22-20-28-24-30(42(4,5)6)12-18-34(28)40/h7-18,23-24H,19-22H2,1-6H3
InChIKeyBTOBOCXDBDTOGP-UHFFFAOYSA-N
MW580.92 g/mol
LogP9.06
Rot. Bonds4

About trimethyl-[1-[6-(5-trimethylsilyl-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindol-5-yl]silane

trimethyl-[1-[6-(5-trimethylsilyl-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindol-5-yl]silane (PubChem CID 123393232) has the molecular formula C38H40N2Si2 and a molecular weight of 580.92 g/mol. Its IUPAC name is trimethyl-[1-[6-(5-trimethylsilyl-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindol-5-yl]silane.

Molecular Properties

Compound Nametrimethyl-[1-[6-(5-trimethylsilyl-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindol-5-yl]silane
PubChem CID123393232
Molecular FormulaC38H40N2Si2
Molecular Weight580.92 g/mol
Exact Mass580.27
IUPAC Nametrimethyl-[1-[6-(5-trimethylsilyl-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindol-5-yl]silane
SMILESC[Si](C)(C)c1ccc2c(c1)CCN2c1ccc2ccc3c(N4CCc5cc([Si](C)(C)C)ccc54)ccc4ccc1c2c43
InChIInChI=1S/C38H40N2Si2/c1-41(2,3)29-11-17-33-27(23-29)19-21-39(33)35-15-9-25-8-14-32-36(16-10-26-7-13-31(35)37(25)38(26)32)40-22-20-28-24-30(42(4,5)6)12-18-34(28)40/h7-18,23-24H,19-22H2,1-6H3
InChIKeyBTOBOCXDBDTOGP-UHFFFAOYSA-N
XLogP9.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.92
LogP ≤ 59.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[1-[6-(5-trimethylsilyl-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindol-5-yl]silane?
The IUPAC name of trimethyl-[1-[6-(5-trimethylsilyl-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindol-5-yl]silane (CID 123393232) is trimethyl-[1-[6-(5-trimethylsilyl-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindol-5-yl]silane.
What is the SMILES notation for trimethyl-[1-[6-(5-trimethylsilyl-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindol-5-yl]silane?
The canonical SMILES for trimethyl-[1-[6-(5-trimethylsilyl-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindol-5-yl]silane is C[Si](C)(C)c1ccc2c(c1)CCN2c1ccc2ccc3c(N4CCc5cc([Si](C)(C)C)ccc54)ccc4ccc1c2c43.
What is the InChIKey of trimethyl-[1-[6-(5-trimethylsilyl-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindol-5-yl]silane?
The InChIKey is BTOBOCXDBDTOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H40N2Si2/c1-41(2,3)29-11-17-33-27(23-29)19-21-39(33)35-15-9-25-8-14-32-36(16-10-26-7-13-31(35)37(25)38(26)32)40-22-20-28-24-30(42(4,5)6)12-18-34(28)40/h7-18,23-24H,19-22H2,1-6H3.
What are the key properties of trimethyl-[1-[6-(5-trimethylsilyl-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindol-5-yl]silane?
trimethyl-[1-[6-(5-trimethylsilyl-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindol-5-yl]silane has a molecular weight of 580.92 g/mol, XLogP of 9.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1-[6-(5-trimethylsilyl-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindol-5-yl]silane is sourced from PubChem (CID 123393232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).