(2-ethyl-4-phenanthren-9-yl-1H-inden-1-yl)-dimethyl-[4-(2-methylphenyl)-1H-inden-1-yl]silane

C43H38Si — CID 139765203

IUPAC(2-ethyl-4-phenanthren-9-yl-1H-inden-1-yl)-dimethyl-[4-(2-methylphenyl)-1H-inden-1-yl]silane
SMILESCCC1=Cc2c(-c3cc4ccccc4c4ccccc34)cccc2C1[Si](C)(C)C1C=Cc2c(-c3ccccc3C)cccc21
InChIInChI=1S/C43H38Si/c1-5-29-26-41-36(40-27-30-15-7-9-17-32(30)34-18-10-11-19-35(34)40)21-13-23-39(41)43(29)44(3,4)42-25-24-37-33(20-12-22-38(37)42)31-16-8-6-14-28(31)2/h6-27,42-43H,5H2,1-4H3
InChIKeyUMQDIWFAFGNIHR-UHFFFAOYSA-N
MW582.86 g/mol
LogP12.12
Rot. Bonds5

About (2-ethyl-4-phenanthren-9-yl-1H-inden-1-yl)-dimethyl-[4-(2-methylphenyl)-1H-inden-1-yl]silane

(2-ethyl-4-phenanthren-9-yl-1H-inden-1-yl)-dimethyl-[4-(2-methylphenyl)-1H-inden-1-yl]silane (PubChem CID 139765203) has the molecular formula C43H38Si and a molecular weight of 582.86 g/mol. Its IUPAC name is (2-ethyl-4-phenanthren-9-yl-1H-inden-1-yl)-dimethyl-[4-(2-methylphenyl)-1H-inden-1-yl]silane.

Molecular Properties

Compound Name(2-ethyl-4-phenanthren-9-yl-1H-inden-1-yl)-dimethyl-[4-(2-methylphenyl)-1H-inden-1-yl]silane
PubChem CID139765203
Molecular FormulaC43H38Si
Molecular Weight582.86 g/mol
Exact Mass582.27
IUPAC Name(2-ethyl-4-phenanthren-9-yl-1H-inden-1-yl)-dimethyl-[4-(2-methylphenyl)-1H-inden-1-yl]silane
SMILESCCC1=Cc2c(-c3cc4ccccc4c4ccccc34)cccc2C1[Si](C)(C)C1C=Cc2c(-c3ccccc3C)cccc21
InChIInChI=1S/C43H38Si/c1-5-29-26-41-36(40-27-30-15-7-9-17-32(30)34-18-10-11-19-35(34)40)21-13-23-39(41)43(29)44(3,4)42-25-24-37-33(20-12-22-38(37)42)31-16-8-6-14-28(31)2/h6-27,42-43H,5H2,1-4H3
InChIKeyUMQDIWFAFGNIHR-UHFFFAOYSA-N
XLogP12.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.86
LogP ≤ 512.12
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_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-4-phenanthren-9-yl-1H-inden-1-yl)-dimethyl-[4-(2-methylphenyl)-1H-inden-1-yl]silane?
The IUPAC name of (2-ethyl-4-phenanthren-9-yl-1H-inden-1-yl)-dimethyl-[4-(2-methylphenyl)-1H-inden-1-yl]silane (CID 139765203) is (2-ethyl-4-phenanthren-9-yl-1H-inden-1-yl)-dimethyl-[4-(2-methylphenyl)-1H-inden-1-yl]silane.
What is the SMILES notation for (2-ethyl-4-phenanthren-9-yl-1H-inden-1-yl)-dimethyl-[4-(2-methylphenyl)-1H-inden-1-yl]silane?
The canonical SMILES for (2-ethyl-4-phenanthren-9-yl-1H-inden-1-yl)-dimethyl-[4-(2-methylphenyl)-1H-inden-1-yl]silane is CCC1=Cc2c(-c3cc4ccccc4c4ccccc34)cccc2C1[Si](C)(C)C1C=Cc2c(-c3ccccc3C)cccc21.
What is the InChIKey of (2-ethyl-4-phenanthren-9-yl-1H-inden-1-yl)-dimethyl-[4-(2-methylphenyl)-1H-inden-1-yl]silane?
The InChIKey is UMQDIWFAFGNIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H38Si/c1-5-29-26-41-36(40-27-30-15-7-9-17-32(30)34-18-10-11-19-35(34)40)21-13-23-39(41)43(29)44(3,4)42-25-24-37-33(20-12-22-38(37)42)31-16-8-6-14-28(31)2/h6-27,42-43H,5H2,1-4H3.
What are the key properties of (2-ethyl-4-phenanthren-9-yl-1H-inden-1-yl)-dimethyl-[4-(2-methylphenyl)-1H-inden-1-yl]silane?
(2-ethyl-4-phenanthren-9-yl-1H-inden-1-yl)-dimethyl-[4-(2-methylphenyl)-1H-inden-1-yl]silane has a molecular weight of 582.86 g/mol, XLogP of 12.12, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-4-phenanthren-9-yl-1H-inden-1-yl)-dimethyl-[4-(2-methylphenyl)-1H-inden-1-yl]silane is sourced from PubChem (CID 139765203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).