bis(4-methylphenyl)-bis(2-methyl-7-phenyl-3H-inden-1-yl)silane

C46H40Si — CID 87864949

IUPACbis(4-methylphenyl)-bis(2-methyl-7-phenyl-3H-inden-1-yl)silane
SMILESCC1=C([Si](C2=C(C)Cc3cccc(-c4ccccc4)c32)(c2ccc(C)cc2)c2ccc(C)cc2)c2c(cccc2-c2ccccc2)C1
InChIInChI=1S/C46H40Si/c1-31-21-25-39(26-22-31)47(40-27-23-32(2)24-28-40,45-33(3)29-37-17-11-19-41(43(37)45)35-13-7-5-8-14-35)46-34(4)30-38-18-12-20-42(44(38)46)36-15-9-6-10-16-36/h5-28H,29-30H2,1-4H3
InChIKeyQVSYGTMEHLSEIF-UHFFFAOYSA-N
MW620.91 g/mol
LogP10.34
Rot. Bonds6

About bis(4-methylphenyl)-bis(2-methyl-7-phenyl-3H-inden-1-yl)silane

bis(4-methylphenyl)-bis(2-methyl-7-phenyl-3H-inden-1-yl)silane (PubChem CID 87864949) has the molecular formula C46H40Si and a molecular weight of 620.91 g/mol. Its IUPAC name is bis(4-methylphenyl)-bis(2-methyl-7-phenyl-3H-inden-1-yl)silane.

Molecular Properties

Compound Namebis(4-methylphenyl)-bis(2-methyl-7-phenyl-3H-inden-1-yl)silane
PubChem CID87864949
Molecular FormulaC46H40Si
Molecular Weight620.91 g/mol
Exact Mass620.29
IUPAC Namebis(4-methylphenyl)-bis(2-methyl-7-phenyl-3H-inden-1-yl)silane
SMILESCC1=C([Si](C2=C(C)Cc3cccc(-c4ccccc4)c32)(c2ccc(C)cc2)c2ccc(C)cc2)c2c(cccc2-c2ccccc2)C1
InChIInChI=1S/C46H40Si/c1-31-21-25-39(26-22-31)47(40-27-23-32(2)24-28-40,45-33(3)29-37-17-11-19-41(43(37)45)35-13-7-5-8-14-35)46-34(4)30-38-18-12-20-42(44(38)46)36-15-9-6-10-16-36/h5-28H,29-30H2,1-4H3
InChIKeyQVSYGTMEHLSEIF-UHFFFAOYSA-N
XLogP10.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.91
LogP ≤ 510.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

methyl-(2-methyl-7-phenyl-1H-inden-1-yl)-(2-methyl-7-phenyl-3H-inden-1-yl)-phenylsilane
CID 54094543
bis[7-(4-ethylphenyl)-2-phenyl-3H-inden-1-yl]-dimethylsilane
CID 87558709
bis[7-(4-tert-butylphenyl)-2-phenyl-3H-inden-1-yl]-dimethylsilane
CID 87558333
[4-(4-methylphenyl)phenyl]-triphenylsilane
CID 123512514
1,4-bis(4-methylphenyl)-2,3-diphenylbenzene
CID 123305097
2-methyl-1-[4-(2-methyl-7-phenyl-3H-inden-1-yl)butyl]-7-phenyl-1H-indene
CID 57259609
2-[4-[8-[4-(4-methylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 134509781
1-(4-methylphenyl)-2-[2-(4-methylphenyl)-6-phenylphenoxy]-3-phenylbenzene
CID 140972747
1-methyl-4-[2-(3-phenylphenyl)phenyl]benzene
CID 58390014
1-methyl-2-(2-methylphenyl)-3-(4-methylphenyl)benzene
CID 144785199
10-(4-methylphenyl)-6H-pyrido[2,1-a]isoindol-5-ium
CID 162209498
tris(3,5-ditert-butylphenyl)-(2-methyl-3H-inden-1-yl)silane
CID 173473387

Frequently Asked Questions

What is the IUPAC name of bis(4-methylphenyl)-bis(2-methyl-7-phenyl-3H-inden-1-yl)silane?
The IUPAC name of bis(4-methylphenyl)-bis(2-methyl-7-phenyl-3H-inden-1-yl)silane (CID 87864949) is bis(4-methylphenyl)-bis(2-methyl-7-phenyl-3H-inden-1-yl)silane.
What is the SMILES notation for bis(4-methylphenyl)-bis(2-methyl-7-phenyl-3H-inden-1-yl)silane?
The canonical SMILES for bis(4-methylphenyl)-bis(2-methyl-7-phenyl-3H-inden-1-yl)silane is CC1=C([Si](C2=C(C)Cc3cccc(-c4ccccc4)c32)(c2ccc(C)cc2)c2ccc(C)cc2)c2c(cccc2-c2ccccc2)C1.
What is the InChIKey of bis(4-methylphenyl)-bis(2-methyl-7-phenyl-3H-inden-1-yl)silane?
The InChIKey is QVSYGTMEHLSEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H40Si/c1-31-21-25-39(26-22-31)47(40-27-23-32(2)24-28-40,45-33(3)29-37-17-11-19-41(43(37)45)35-13-7-5-8-14-35)46-34(4)30-38-18-12-20-42(44(38)46)36-15-9-6-10-16-36/h5-28H,29-30H2,1-4H3.
What are the key properties of bis(4-methylphenyl)-bis(2-methyl-7-phenyl-3H-inden-1-yl)silane?
bis(4-methylphenyl)-bis(2-methyl-7-phenyl-3H-inden-1-yl)silane has a molecular weight of 620.91 g/mol, XLogP of 10.34, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methylphenyl)-bis(2-methyl-7-phenyl-3H-inden-1-yl)silane is sourced from PubChem (CID 87864949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).