[4,8-bis(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-[4-(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane

C52H56Si — CID 176674940

IUPAC[4,8-bis(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-[4-(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane
SMILESCC1=Cc2c(cc3c(c2-c2cc(C)cc(C)c2)CCC3)C1[Si](C)(C)C1C(C)=Cc2c(-c3cc(C)cc(C)c3)c3c(c(-c4cc(C)cc(C)c4)c21)CCC3
InChIInChI=1S/C52H56Si/c1-29-17-30(2)21-38(20-29)47-41-14-11-13-37(41)28-45-44(47)26-35(7)51(45)53(9,10)52-36(8)27-46-48(39-22-31(3)18-32(4)23-39)42-15-12-16-43(42)49(50(46)52)40-24-33(5)19-34(6)25-40/h17-28,51-52H,11-16H2,1-10H3
InChIKeyBUMLZCTZSZDZPD-UHFFFAOYSA-N
MW709.11 g/mol
LogP14.00
Rot. Bonds5

About [4,8-bis(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-[4-(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane

[4,8-bis(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-[4-(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane (PubChem CID 176674940) has the molecular formula C52H56Si and a molecular weight of 709.11 g/mol. Its IUPAC name is [4,8-bis(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-[4-(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane.

Molecular Properties

Compound Name[4,8-bis(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-[4-(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane
PubChem CID176674940
Molecular FormulaC52H56Si
Molecular Weight709.11 g/mol
Exact Mass708.42
IUPAC Name[4,8-bis(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-[4-(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane
SMILESCC1=Cc2c(cc3c(c2-c2cc(C)cc(C)c2)CCC3)C1[Si](C)(C)C1C(C)=Cc2c(-c3cc(C)cc(C)c3)c3c(c(-c4cc(C)cc(C)c4)c21)CCC3
InChIInChI=1S/C52H56Si/c1-29-17-30(2)21-38(20-29)47-41-14-11-13-37(41)28-45-44(47)26-35(7)51(45)53(9,10)52-36(8)27-46-48(39-22-31(3)18-32(4)23-39)42-15-12-16-43(42)49(50(46)52)40-24-33(5)19-34(6)25-40/h17-28,51-52H,11-16H2,1-10H3
InChIKeyBUMLZCTZSZDZPD-UHFFFAOYSA-N
XLogP14.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.11
LogP ≤ 514.00
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 [4,8-bis(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-[4-(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane?
The IUPAC name of [4,8-bis(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-[4-(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane (CID 176674940) is [4,8-bis(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-[4-(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane.
What is the SMILES notation for [4,8-bis(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-[4-(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane?
The canonical SMILES for [4,8-bis(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-[4-(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane is CC1=Cc2c(cc3c(c2-c2cc(C)cc(C)c2)CCC3)C1[Si](C)(C)C1C(C)=Cc2c(-c3cc(C)cc(C)c3)c3c(c(-c4cc(C)cc(C)c4)c21)CCC3.
What is the InChIKey of [4,8-bis(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-[4-(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane?
The InChIKey is BUMLZCTZSZDZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H56Si/c1-29-17-30(2)21-38(20-29)47-41-14-11-13-37(41)28-45-44(47)26-35(7)51(45)53(9,10)52-36(8)27-46-48(39-22-31(3)18-32(4)23-39)42-15-12-16-43(42)49(50(46)52)40-24-33(5)19-34(6)25-40/h17-28,51-52H,11-16H2,1-10H3.
What are the key properties of [4,8-bis(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-[4-(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane?
[4,8-bis(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-[4-(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane has a molecular weight of 709.11 g/mol, XLogP of 14.00, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4,8-bis(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-[4-(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane is sourced from PubChem (CID 176674940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).