dimethyl-bis[2-methyl-4-(9-methylcarbazol-3-yl)-1H-inden-1-yl]silane

C48H42N2Si — CID 168786471

IUPACdimethyl-bis[2-methyl-4-(9-methylcarbazol-3-yl)-1H-inden-1-yl]silane
SMILESCC1=Cc2c(-c3ccc4c(c3)c3ccccc3n4C)cccc2C1[Si](C)(C)C1C(C)=Cc2c(-c3ccc4c(c3)c3ccccc3n4C)cccc21
InChIInChI=1S/C48H42N2Si/c1-29-25-39-33(31-21-23-45-41(27-31)35-13-7-9-19-43(35)49(45)3)15-11-17-37(39)47(29)51(5,6)48-30(2)26-40-34(16-12-18-38(40)48)32-22-24-46-42(28-32)36-14-8-10-20-44(36)50(46)4/h7-28,47-48H,1-6H3
InChIKeyUTUZFZUOPFTFKI-UHFFFAOYSA-N
MW674.96 g/mol
LogP12.80
Rot. Bonds4

About dimethyl-bis[2-methyl-4-(9-methylcarbazol-3-yl)-1H-inden-1-yl]silane

dimethyl-bis[2-methyl-4-(9-methylcarbazol-3-yl)-1H-inden-1-yl]silane (PubChem CID 168786471) has the molecular formula C48H42N2Si and a molecular weight of 674.96 g/mol. Its IUPAC name is dimethyl-bis[2-methyl-4-(9-methylcarbazol-3-yl)-1H-inden-1-yl]silane.

Molecular Properties

Compound Namedimethyl-bis[2-methyl-4-(9-methylcarbazol-3-yl)-1H-inden-1-yl]silane
PubChem CID168786471
Molecular FormulaC48H42N2Si
Molecular Weight674.96 g/mol
Exact Mass674.31
IUPAC Namedimethyl-bis[2-methyl-4-(9-methylcarbazol-3-yl)-1H-inden-1-yl]silane
SMILESCC1=Cc2c(-c3ccc4c(c3)c3ccccc3n4C)cccc2C1[Si](C)(C)C1C(C)=Cc2c(-c3ccc4c(c3)c3ccccc3n4C)cccc21
InChIInChI=1S/C48H42N2Si/c1-29-25-39-33(31-21-23-45-41(27-31)35-13-7-9-19-43(35)49(45)3)15-11-17-37(39)47(29)51(5,6)48-30(2)26-40-34(16-12-18-38(40)48)32-22-24-46-42(28-32)36-14-8-10-20-44(36)50(46)4/h7-28,47-48H,1-6H3
InChIKeyUTUZFZUOPFTFKI-UHFFFAOYSA-N
XLogP12.80
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.96
LogP ≤ 512.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-bis[(1R)-2-methyl-4-phenyl-1H-inden-1-yl]silane
CID 101111754
1H-inden-1-yl-methyl-[2-methyl-4-(9-methylcarbazol-3-yl)-1H-inden-1-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
CID 168786477
bis(4-carbazol-9-yl-2-methyl-1H-inden-1-yl)-dimethylsilane
CID 66811541
3-dibenzofuran-1-yl-9-methylcarbazole
CID 137388254
ethane;9-methyl-3-(9-methylcarbazol-3-yl)carbazole
CID 158738351
carbanide;methyl-bis[2-methyl-4-(9-methylcarbazol-3-yl)inden-1-id-1-yl]-phenylsilane;zirconium(4+)
CID 168786587
9-methylcarbazole;9-methyl-3,6-diphenylcarbazole;9-methyl-3-(2-methylphenyl)carbazole;9-methyl-3-(4-methylphenyl)carbazole;9-methyl-3-phenylcarbazole
CID 157294654
6-(9-methylcarbazol-3-yl)-9-phenyl-1-(9-phenylcarbazol-3-yl)carbazole
CID 126630373
9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 134359342
9-methyl-2-(9-methylcarbazol-4-yl)carbazole;9-methyl-3-(9-methylcarbazol-3-yl)carbazole;9-methyl-3-(9-methylcarbazol-4-yl)carbazole;9-methyl-4-(9-methylcarbazol-4-yl)carbazole;9-methyl-3-[4-(9-methylcarbazol-3-yl)phenyl]carbazole
CID 159041111
chloro-[dimethyl-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)silyl]-dimethylsilane
CID 163422359
9-methyl-3-(7-methyl-6,7-dihydrodibenzofuran-1-yl)carbazole
CID 142540849

Frequently Asked Questions

What is the IUPAC name of dimethyl-bis[2-methyl-4-(9-methylcarbazol-3-yl)-1H-inden-1-yl]silane?
The IUPAC name of dimethyl-bis[2-methyl-4-(9-methylcarbazol-3-yl)-1H-inden-1-yl]silane (CID 168786471) is dimethyl-bis[2-methyl-4-(9-methylcarbazol-3-yl)-1H-inden-1-yl]silane.
What is the SMILES notation for dimethyl-bis[2-methyl-4-(9-methylcarbazol-3-yl)-1H-inden-1-yl]silane?
The canonical SMILES for dimethyl-bis[2-methyl-4-(9-methylcarbazol-3-yl)-1H-inden-1-yl]silane is CC1=Cc2c(-c3ccc4c(c3)c3ccccc3n4C)cccc2C1[Si](C)(C)C1C(C)=Cc2c(-c3ccc4c(c3)c3ccccc3n4C)cccc21.
What is the InChIKey of dimethyl-bis[2-methyl-4-(9-methylcarbazol-3-yl)-1H-inden-1-yl]silane?
The InChIKey is UTUZFZUOPFTFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H42N2Si/c1-29-25-39-33(31-21-23-45-41(27-31)35-13-7-9-19-43(35)49(45)3)15-11-17-37(39)47(29)51(5,6)48-30(2)26-40-34(16-12-18-38(40)48)32-22-24-46-42(28-32)36-14-8-10-20-44(36)50(46)4/h7-28,47-48H,1-6H3.
What are the key properties of dimethyl-bis[2-methyl-4-(9-methylcarbazol-3-yl)-1H-inden-1-yl]silane?
dimethyl-bis[2-methyl-4-(9-methylcarbazol-3-yl)-1H-inden-1-yl]silane has a molecular weight of 674.96 g/mol, XLogP of 12.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis[2-methyl-4-(9-methylcarbazol-3-yl)-1H-inden-1-yl]silane is sourced from PubChem (CID 168786471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).