bis[7-(4-tert-butylphenyl)-2-phenyl-3H-inden-1-yl]-dimethylsilane

C52H52Si — CID 87558333

IUPACbis[7-(4-tert-butylphenyl)-2-phenyl-3H-inden-1-yl]-dimethylsilane
SMILESCC(C)(C)c1ccc(-c2cccc3c2C([Si](C)(C)C2=C(c4ccccc4)Cc4cccc(-c5ccc(C(C)(C)C)cc5)c42)=C(c2ccccc2)C3)cc1
InChIInChI=1S/C52H52Si/c1-51(2,3)41-29-25-37(26-30-41)43-23-15-21-39-33-45(35-17-11-9-12-18-35)49(47(39)43)53(7,8)50-46(36-19-13-10-14-20-36)34-40-22-16-24-44(48(40)50)38-27-31-42(32-28-38)52(4,5)6/h9-32H,33-34H2,1-8H3
InChIKeyJJGZJELJABQMOR-UHFFFAOYSA-N
MW705.07 g/mol
LogP14.04
Rot. Bonds6

About bis[7-(4-tert-butylphenyl)-2-phenyl-3H-inden-1-yl]-dimethylsilane

bis[7-(4-tert-butylphenyl)-2-phenyl-3H-inden-1-yl]-dimethylsilane (PubChem CID 87558333) has the molecular formula C52H52Si and a molecular weight of 705.07 g/mol. Its IUPAC name is bis[7-(4-tert-butylphenyl)-2-phenyl-3H-inden-1-yl]-dimethylsilane.

Molecular Properties

Compound Namebis[7-(4-tert-butylphenyl)-2-phenyl-3H-inden-1-yl]-dimethylsilane
PubChem CID87558333
Molecular FormulaC52H52Si
Molecular Weight705.07 g/mol
Exact Mass704.38
IUPAC Namebis[7-(4-tert-butylphenyl)-2-phenyl-3H-inden-1-yl]-dimethylsilane
SMILESCC(C)(C)c1ccc(-c2cccc3c2C([Si](C)(C)C2=C(c4ccccc4)Cc4cccc(-c5ccc(C(C)(C)C)cc5)c42)=C(c2ccccc2)C3)cc1
InChIInChI=1S/C52H52Si/c1-51(2,3)41-29-25-37(26-30-41)43-23-15-21-39-33-45(35-17-11-9-12-18-35)49(47(39)43)53(7,8)50-46(36-19-13-10-14-20-36)34-40-22-16-24-44(48(40)50)38-27-31-42(32-28-38)52(4,5)6/h9-32H,33-34H2,1-8H3
InChIKeyJJGZJELJABQMOR-UHFFFAOYSA-N
XLogP14.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.07
LogP ≤ 514.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis[7-(4-ethylphenyl)-2-phenyl-3H-inden-1-yl]-dimethylsilane
CID 87558709
bis(4-methylphenyl)-bis(2-methyl-7-phenyl-3H-inden-1-yl)silane
CID 87864949
1-(4-tert-butylphenyl)-2,3,4,5,6-pentakis-phenylbenzene
CID 140865930
2-tert-butyl-4-(4-tert-butylphenyl)-1H-indene
CID 87188622
9,9-bis[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-4-phenylfluorene
CID 164755528
1-bromo-2,3-bis(4-tert-butylphenyl)benzene
CID 141112588
tetrakis(4-tert-butylphenyl)-(2,3-diphenylphenoxy)-λ5-phosphane
CID 140524404
2-tert-butyl-4-phenyl-1H-indene
CID 87188208
3,6,25,28-tetraphenylheptacyclo[15.11.0.02,14.04,12.05,10.019,27.021,26]octacosa-1(28),2,4(12),5(10),6,8,13,15,17,19(27),21(26),22,24-tridecaene
CID 101360093
tert-butylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-(4-phenylphenyl)benzene;1-tert-butyl-4-(3-phenylphenyl)benzene;1-tert-butyl-4-(4-phenylphenyl)benzene;1,4-ditert-butylbenzene
CID 162095144
8-(4-tert-butylphenyl)-3,4-dihydro-1,2λ6,3-benzoxathiazine 2,2-dioxide
CID 155664012
7-(4-tert-butylphenyl)-2,3-dihydro-1H-inden-1-ol
CID 140664493

Frequently Asked Questions

What is the IUPAC name of bis[7-(4-tert-butylphenyl)-2-phenyl-3H-inden-1-yl]-dimethylsilane?
The IUPAC name of bis[7-(4-tert-butylphenyl)-2-phenyl-3H-inden-1-yl]-dimethylsilane (CID 87558333) is bis[7-(4-tert-butylphenyl)-2-phenyl-3H-inden-1-yl]-dimethylsilane.
What is the SMILES notation for bis[7-(4-tert-butylphenyl)-2-phenyl-3H-inden-1-yl]-dimethylsilane?
The canonical SMILES for bis[7-(4-tert-butylphenyl)-2-phenyl-3H-inden-1-yl]-dimethylsilane is CC(C)(C)c1ccc(-c2cccc3c2C([Si](C)(C)C2=C(c4ccccc4)Cc4cccc(-c5ccc(C(C)(C)C)cc5)c42)=C(c2ccccc2)C3)cc1.
What is the InChIKey of bis[7-(4-tert-butylphenyl)-2-phenyl-3H-inden-1-yl]-dimethylsilane?
The InChIKey is JJGZJELJABQMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H52Si/c1-51(2,3)41-29-25-37(26-30-41)43-23-15-21-39-33-45(35-17-11-9-12-18-35)49(47(39)43)53(7,8)50-46(36-19-13-10-14-20-36)34-40-22-16-24-44(48(40)50)38-27-31-42(32-28-38)52(4,5)6/h9-32H,33-34H2,1-8H3.
What are the key properties of bis[7-(4-tert-butylphenyl)-2-phenyl-3H-inden-1-yl]-dimethylsilane?
bis[7-(4-tert-butylphenyl)-2-phenyl-3H-inden-1-yl]-dimethylsilane has a molecular weight of 705.07 g/mol, XLogP of 14.04, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[7-(4-tert-butylphenyl)-2-phenyl-3H-inden-1-yl]-dimethylsilane is sourced from PubChem (CID 87558333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).