bis(4-carbazol-9-yl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane

C46H54N2Si — CID 90950614

IUPACbis(4-carbazol-9-yl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane
SMILESCC1CC2C(CCCC2n2c3ccccc3c3ccccc32)C1[Si](C)(C)C1C(C)CC2C1CCCC2n1c2ccccc2c2ccccc21
InChIInChI=1S/C46H54N2Si/c1-29-27-37-35(19-13-25-43(37)47-39-21-9-5-15-31(39)32-16-6-10-22-40(32)47)45(29)49(3,4)46-30(2)28-38-36(46)20-14-26-44(38)48-41-23-11-7-17-33(41)34-18-8-12-24-42(34)48/h5-12,15-18,21-24,29-30,35-38,43-46H,13-14,19-20,25-28H2,1-4H3
InChIKeyUHTDZYPTRNEZPB-UHFFFAOYSA-N
MW663.04 g/mol
LogP13.05
Rot. Bonds4

About bis(4-carbazol-9-yl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane

bis(4-carbazol-9-yl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane (PubChem CID 90950614) has the molecular formula C46H54N2Si and a molecular weight of 663.04 g/mol. Its IUPAC name is bis(4-carbazol-9-yl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane.

Molecular Properties

Compound Namebis(4-carbazol-9-yl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane
PubChem CID90950614
Molecular FormulaC46H54N2Si
Molecular Weight663.04 g/mol
Exact Mass662.41
IUPAC Namebis(4-carbazol-9-yl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane
SMILESCC1CC2C(CCCC2n2c3ccccc3c3ccccc32)C1[Si](C)(C)C1C(C)CC2C1CCCC2n1c2ccccc2c2ccccc21
InChIInChI=1S/C46H54N2Si/c1-29-27-37-35(19-13-25-43(37)47-39-21-9-5-15-31(39)32-16-6-10-22-40(32)47)45(29)49(3,4)46-30(2)28-38-36(46)20-14-26-44(38)48-41-23-11-7-17-33(41)34-18-8-12-24-42(34)48/h5-12,15-18,21-24,29-30,35-38,43-46H,13-14,19-20,25-28H2,1-4H3
InChIKeyUHTDZYPTRNEZPB-UHFFFAOYSA-N
XLogP13.05
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.04
LogP ≤ 513.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 bis(4-carbazol-9-yl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane?
The IUPAC name of bis(4-carbazol-9-yl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane (CID 90950614) is bis(4-carbazol-9-yl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane.
What is the SMILES notation for bis(4-carbazol-9-yl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane?
The canonical SMILES for bis(4-carbazol-9-yl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane is CC1CC2C(CCCC2n2c3ccccc3c3ccccc32)C1[Si](C)(C)C1C(C)CC2C1CCCC2n1c2ccccc2c2ccccc21.
What is the InChIKey of bis(4-carbazol-9-yl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane?
The InChIKey is UHTDZYPTRNEZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H54N2Si/c1-29-27-37-35(19-13-25-43(37)47-39-21-9-5-15-31(39)32-16-6-10-22-40(32)47)45(29)49(3,4)46-30(2)28-38-36(46)20-14-26-44(38)48-41-23-11-7-17-33(41)34-18-8-12-24-42(34)48/h5-12,15-18,21-24,29-30,35-38,43-46H,13-14,19-20,25-28H2,1-4H3.
What are the key properties of bis(4-carbazol-9-yl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane?
bis(4-carbazol-9-yl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane has a molecular weight of 663.04 g/mol, XLogP of 13.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-carbazol-9-yl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane is sourced from PubChem (CID 90950614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).