tert-butyl-[2-[2-[1-(cyclopropylmethyl)-6-methoxyindol-2-yl]-6-ethyl-4-methoxy-1-benzofuran-3-yl]ethoxy]-diphenylsilane

C42H47NO4Si — CID 168765966

IUPACtert-butyl-[2-[2-[1-(cyclopropylmethyl)-6-methoxyindol-2-yl]-6-ethyl-4-methoxy-1-benzofuran-3-yl]ethoxy]-diphenylsilane
SMILESCCc1cc(OC)c2c(CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)c(-c3cc4ccc(OC)cc4n3CC3CC3)oc2c1
InChIInChI=1S/C42H47NO4Si/c1-7-29-24-38(45-6)40-35(22-23-46-48(42(2,3)4,33-14-10-8-11-15-33)34-16-12-9-13-17-34)41(47-39(40)25-29)37-26-31-20-21-32(44-5)27-36(31)43(37)28-30-18-19-30/h8-17,20-21,24-27,30H,7,18-19,22-23,28H2,1-6H3
InChIKeyBPTMZYCIHXIYEZ-UHFFFAOYSA-N
MW657.93 g/mol
LogP9.16
Rot. Bonds12

About tert-butyl-[2-[2-[1-(cyclopropylmethyl)-6-methoxyindol-2-yl]-6-ethyl-4-methoxy-1-benzofuran-3-yl]ethoxy]-diphenylsilane

tert-butyl-[2-[2-[1-(cyclopropylmethyl)-6-methoxyindol-2-yl]-6-ethyl-4-methoxy-1-benzofuran-3-yl]ethoxy]-diphenylsilane (PubChem CID 168765966) has the molecular formula C42H47NO4Si and a molecular weight of 657.93 g/mol. Its IUPAC name is tert-butyl-[2-[2-[1-(cyclopropylmethyl)-6-methoxyindol-2-yl]-6-ethyl-4-methoxy-1-benzofuran-3-yl]ethoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[2-[1-(cyclopropylmethyl)-6-methoxyindol-2-yl]-6-ethyl-4-methoxy-1-benzofuran-3-yl]ethoxy]-diphenylsilane
PubChem CID168765966
Molecular FormulaC42H47NO4Si
Molecular Weight657.93 g/mol
Exact Mass657.33
IUPAC Nametert-butyl-[2-[2-[1-(cyclopropylmethyl)-6-methoxyindol-2-yl]-6-ethyl-4-methoxy-1-benzofuran-3-yl]ethoxy]-diphenylsilane
SMILESCCc1cc(OC)c2c(CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)c(-c3cc4ccc(OC)cc4n3CC3CC3)oc2c1
InChIInChI=1S/C42H47NO4Si/c1-7-29-24-38(45-6)40-35(22-23-46-48(42(2,3)4,33-14-10-8-11-15-33)34-16-12-9-13-17-34)41(47-39(40)25-29)37-26-31-20-21-32(44-5)27-36(31)43(37)28-30-18-19-30/h8-17,20-21,24-27,30H,7,18-19,22-23,28H2,1-6H3
InChIKeyBPTMZYCIHXIYEZ-UHFFFAOYSA-N
XLogP9.16
TPSA45.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.93
LogP ≤ 59.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 tert-butyl-[2-[2-[1-(cyclopropylmethyl)-6-methoxyindol-2-yl]-6-ethyl-4-methoxy-1-benzofuran-3-yl]ethoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[2-[2-[1-(cyclopropylmethyl)-6-methoxyindol-2-yl]-6-ethyl-4-methoxy-1-benzofuran-3-yl]ethoxy]-diphenylsilane (CID 168765966) is tert-butyl-[2-[2-[1-(cyclopropylmethyl)-6-methoxyindol-2-yl]-6-ethyl-4-methoxy-1-benzofuran-3-yl]ethoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[2-[2-[1-(cyclopropylmethyl)-6-methoxyindol-2-yl]-6-ethyl-4-methoxy-1-benzofuran-3-yl]ethoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[2-[2-[1-(cyclopropylmethyl)-6-methoxyindol-2-yl]-6-ethyl-4-methoxy-1-benzofuran-3-yl]ethoxy]-diphenylsilane is CCc1cc(OC)c2c(CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)c(-c3cc4ccc(OC)cc4n3CC3CC3)oc2c1.
What is the InChIKey of tert-butyl-[2-[2-[1-(cyclopropylmethyl)-6-methoxyindol-2-yl]-6-ethyl-4-methoxy-1-benzofuran-3-yl]ethoxy]-diphenylsilane?
The InChIKey is BPTMZYCIHXIYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H47NO4Si/c1-7-29-24-38(45-6)40-35(22-23-46-48(42(2,3)4,33-14-10-8-11-15-33)34-16-12-9-13-17-34)41(47-39(40)25-29)37-26-31-20-21-32(44-5)27-36(31)43(37)28-30-18-19-30/h8-17,20-21,24-27,30H,7,18-19,22-23,28H2,1-6H3.
What are the key properties of tert-butyl-[2-[2-[1-(cyclopropylmethyl)-6-methoxyindol-2-yl]-6-ethyl-4-methoxy-1-benzofuran-3-yl]ethoxy]-diphenylsilane?
tert-butyl-[2-[2-[1-(cyclopropylmethyl)-6-methoxyindol-2-yl]-6-ethyl-4-methoxy-1-benzofuran-3-yl]ethoxy]-diphenylsilane has a molecular weight of 657.93 g/mol, XLogP of 9.16, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[2-[1-(cyclopropylmethyl)-6-methoxyindol-2-yl]-6-ethyl-4-methoxy-1-benzofuran-3-yl]ethoxy]-diphenylsilane is sourced from PubChem (CID 168765966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).