(5,8-dimethyl-4bH-indeno[1,2-b]indol-10-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[3-(trimethylsilylmethyl)-1H-inden-1-yl]silane

C41H55NOSi2 — CID 162277203

IUPAC(5,8-dimethyl-4bH-indeno[1,2-b]indol-10-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[3-(trimethylsilylmethyl)-1H-inden-1-yl]silane
SMILESCc1ccc2c(c1)C1=C([Si](C)(CCCCCCOC(C)(C)C)C3C=C(C[Si](C)(C)C)c4ccccc43)c3ccccc3C1N2C
InChIInChI=1S/C41H55NOSi2/c1-29-22-23-36-35(26-29)38-39(42(36)5)33-20-14-15-21-34(33)40(38)45(9,25-17-11-10-16-24-43-41(2,3)4)37-27-30(28-44(6,7)8)31-18-12-13-19-32(31)37/h12-15,18-23,26-27,37,39H,10-11,16-17,24-25,28H2,1-9H3
InChIKeyCDBCHMDMMJIMLC-UHFFFAOYSA-N
MW634.07 g/mol
LogP11.46
Rot. Bonds11

About (5,8-dimethyl-4bH-indeno[1,2-b]indol-10-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[3-(trimethylsilylmethyl)-1H-inden-1-yl]silane

(5,8-dimethyl-4bH-indeno[1,2-b]indol-10-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[3-(trimethylsilylmethyl)-1H-inden-1-yl]silane (PubChem CID 162277203) has the molecular formula C41H55NOSi2 and a molecular weight of 634.07 g/mol. Its IUPAC name is (5,8-dimethyl-4bH-indeno[1,2-b]indol-10-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[3-(trimethylsilylmethyl)-1H-inden-1-yl]silane.

Molecular Properties

Compound Name(5,8-dimethyl-4bH-indeno[1,2-b]indol-10-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[3-(trimethylsilylmethyl)-1H-inden-1-yl]silane
PubChem CID162277203
Molecular FormulaC41H55NOSi2
Molecular Weight634.07 g/mol
Exact Mass633.38
IUPAC Name(5,8-dimethyl-4bH-indeno[1,2-b]indol-10-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[3-(trimethylsilylmethyl)-1H-inden-1-yl]silane
SMILESCc1ccc2c(c1)C1=C([Si](C)(CCCCCCOC(C)(C)C)C3C=C(C[Si](C)(C)C)c4ccccc43)c3ccccc3C1N2C
InChIInChI=1S/C41H55NOSi2/c1-29-22-23-36-35(26-29)38-39(42(36)5)33-20-14-15-21-34(33)40(38)45(9,25-17-11-10-16-24-43-41(2,3)4)37-27-30(28-44(6,7)8)31-18-12-13-19-32(31)37/h12-15,18-23,26-27,37,39H,10-11,16-17,24-25,28H2,1-9H3
InChIKeyCDBCHMDMMJIMLC-UHFFFAOYSA-N
XLogP11.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.07
LogP ≤ 511.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5,8-dimethyl-4bH-indeno[1,2-b]indol-10-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[3-(trimethylsilylmethyl)-1H-inden-1-yl]silane?
The IUPAC name of (5,8-dimethyl-4bH-indeno[1,2-b]indol-10-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[3-(trimethylsilylmethyl)-1H-inden-1-yl]silane (CID 162277203) is (5,8-dimethyl-4bH-indeno[1,2-b]indol-10-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[3-(trimethylsilylmethyl)-1H-inden-1-yl]silane.
What is the SMILES notation for (5,8-dimethyl-4bH-indeno[1,2-b]indol-10-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[3-(trimethylsilylmethyl)-1H-inden-1-yl]silane?
The canonical SMILES for (5,8-dimethyl-4bH-indeno[1,2-b]indol-10-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[3-(trimethylsilylmethyl)-1H-inden-1-yl]silane is Cc1ccc2c(c1)C1=C([Si](C)(CCCCCCOC(C)(C)C)C3C=C(C[Si](C)(C)C)c4ccccc43)c3ccccc3C1N2C.
What is the InChIKey of (5,8-dimethyl-4bH-indeno[1,2-b]indol-10-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[3-(trimethylsilylmethyl)-1H-inden-1-yl]silane?
The InChIKey is CDBCHMDMMJIMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H55NOSi2/c1-29-22-23-36-35(26-29)38-39(42(36)5)33-20-14-15-21-34(33)40(38)45(9,25-17-11-10-16-24-43-41(2,3)4)37-27-30(28-44(6,7)8)31-18-12-13-19-32(31)37/h12-15,18-23,26-27,37,39H,10-11,16-17,24-25,28H2,1-9H3.
What are the key properties of (5,8-dimethyl-4bH-indeno[1,2-b]indol-10-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[3-(trimethylsilylmethyl)-1H-inden-1-yl]silane?
(5,8-dimethyl-4bH-indeno[1,2-b]indol-10-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[3-(trimethylsilylmethyl)-1H-inden-1-yl]silane has a molecular weight of 634.07 g/mol, XLogP of 11.46, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5,8-dimethyl-4bH-indeno[1,2-b]indol-10-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[3-(trimethylsilylmethyl)-1H-inden-1-yl]silane is sourced from PubChem (CID 162277203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).