methyl-(2-methyl-7-phenyl-1H-inden-1-yl)-(2-methyl-7-phenyl-3H-inden-1-yl)-phenylsilane

C39H34Si — CID 54094543

IUPACmethyl-(2-methyl-7-phenyl-1H-inden-1-yl)-(2-methyl-7-phenyl-3H-inden-1-yl)-phenylsilane
SMILESCC1=Cc2cccc(-c3ccccc3)c2C1[Si](C)(C1=C(C)Cc2cccc(-c3ccccc3)c21)c1ccccc1
InChIInChI=1S/C39H34Si/c1-27-25-31-19-13-23-34(29-15-7-4-8-16-29)36(31)38(27)40(3,33-21-11-6-12-22-33)39-28(2)26-32-20-14-24-35(37(32)39)30-17-9-5-10-18-30/h4-25,38H,26H2,1-3H3
InChIKeyBFWGEGYAHFFDCK-UHFFFAOYSA-N
MW530.79 g/mol
LogP9.62
Rot. Bonds5

About methyl-(2-methyl-7-phenyl-1H-inden-1-yl)-(2-methyl-7-phenyl-3H-inden-1-yl)-phenylsilane

methyl-(2-methyl-7-phenyl-1H-inden-1-yl)-(2-methyl-7-phenyl-3H-inden-1-yl)-phenylsilane (PubChem CID 54094543) has the molecular formula C39H34Si and a molecular weight of 530.79 g/mol. Its IUPAC name is methyl-(2-methyl-7-phenyl-1H-inden-1-yl)-(2-methyl-7-phenyl-3H-inden-1-yl)-phenylsilane.

Molecular Properties

Compound Namemethyl-(2-methyl-7-phenyl-1H-inden-1-yl)-(2-methyl-7-phenyl-3H-inden-1-yl)-phenylsilane
PubChem CID54094543
Molecular FormulaC39H34Si
Molecular Weight530.79 g/mol
Exact Mass530.24
IUPAC Namemethyl-(2-methyl-7-phenyl-1H-inden-1-yl)-(2-methyl-7-phenyl-3H-inden-1-yl)-phenylsilane
SMILESCC1=Cc2cccc(-c3ccccc3)c2C1[Si](C)(C1=C(C)Cc2cccc(-c3ccccc3)c21)c1ccccc1
InChIInChI=1S/C39H34Si/c1-27-25-31-19-13-23-34(29-15-7-4-8-16-29)36(31)38(27)40(3,33-21-11-6-12-22-33)39-28(2)26-32-20-14-24-35(37(32)39)30-17-9-5-10-18-30/h4-25,38H,26H2,1-3H3
InChIKeyBFWGEGYAHFFDCK-UHFFFAOYSA-N
XLogP9.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms40
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.79
LogP ≤ 59.62
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 methyl-(2-methyl-7-phenyl-1H-inden-1-yl)-(2-methyl-7-phenyl-3H-inden-1-yl)-phenylsilane?
The IUPAC name of methyl-(2-methyl-7-phenyl-1H-inden-1-yl)-(2-methyl-7-phenyl-3H-inden-1-yl)-phenylsilane (CID 54094543) is methyl-(2-methyl-7-phenyl-1H-inden-1-yl)-(2-methyl-7-phenyl-3H-inden-1-yl)-phenylsilane.
What is the SMILES notation for methyl-(2-methyl-7-phenyl-1H-inden-1-yl)-(2-methyl-7-phenyl-3H-inden-1-yl)-phenylsilane?
The canonical SMILES for methyl-(2-methyl-7-phenyl-1H-inden-1-yl)-(2-methyl-7-phenyl-3H-inden-1-yl)-phenylsilane is CC1=Cc2cccc(-c3ccccc3)c2C1[Si](C)(C1=C(C)Cc2cccc(-c3ccccc3)c21)c1ccccc1.
What is the InChIKey of methyl-(2-methyl-7-phenyl-1H-inden-1-yl)-(2-methyl-7-phenyl-3H-inden-1-yl)-phenylsilane?
The InChIKey is BFWGEGYAHFFDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H34Si/c1-27-25-31-19-13-23-34(29-15-7-4-8-16-29)36(31)38(27)40(3,33-21-11-6-12-22-33)39-28(2)26-32-20-14-24-35(37(32)39)30-17-9-5-10-18-30/h4-25,38H,26H2,1-3H3.
What are the key properties of methyl-(2-methyl-7-phenyl-1H-inden-1-yl)-(2-methyl-7-phenyl-3H-inden-1-yl)-phenylsilane?
methyl-(2-methyl-7-phenyl-1H-inden-1-yl)-(2-methyl-7-phenyl-3H-inden-1-yl)-phenylsilane has a molecular weight of 530.79 g/mol, XLogP of 9.62, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(2-methyl-7-phenyl-1H-inden-1-yl)-(2-methyl-7-phenyl-3H-inden-1-yl)-phenylsilane is sourced from PubChem (CID 54094543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).