2,6-dibenzhydryl-4-methyl-N-trichlorosilyl-N-trimethylsilylaniline

C36H36Cl3NSi2 — CID 139157119

IUPAC2,6-dibenzhydryl-4-methyl-N-trichlorosilyl-N-trimethylsilylaniline
SMILESCc1cc(C(c2ccccc2)c2ccccc2)c(N([Si](C)(C)C)[Si](Cl)(Cl)Cl)c(C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C36H36Cl3NSi2/c1-27-25-32(34(28-17-9-5-10-18-28)29-19-11-6-12-20-29)36(40(41(2,3)4)42(37,38)39)33(26-27)35(30-21-13-7-14-22-30)31-23-15-8-16-24-31/h5-26,34-35H,1-4H3
InChIKeyMBBNWOAJROVXQZ-UHFFFAOYSA-N
MW645.22 g/mol
LogP11.15
Rot. Bonds9

About 2,6-dibenzhydryl-4-methyl-N-trichlorosilyl-N-trimethylsilylaniline

2,6-dibenzhydryl-4-methyl-N-trichlorosilyl-N-trimethylsilylaniline (PubChem CID 139157119) has the molecular formula C36H36Cl3NSi2 and a molecular weight of 645.22 g/mol. Its IUPAC name is 2,6-dibenzhydryl-4-methyl-N-trichlorosilyl-N-trimethylsilylaniline.

Molecular Properties

Compound Name2,6-dibenzhydryl-4-methyl-N-trichlorosilyl-N-trimethylsilylaniline
PubChem CID139157119
Molecular FormulaC36H36Cl3NSi2
Molecular Weight645.22 g/mol
Exact Mass643.15
IUPAC Name2,6-dibenzhydryl-4-methyl-N-trichlorosilyl-N-trimethylsilylaniline
SMILESCc1cc(C(c2ccccc2)c2ccccc2)c(N([Si](C)(C)C)[Si](Cl)(Cl)Cl)c(C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C36H36Cl3NSi2/c1-27-25-32(34(28-17-9-5-10-18-28)29-19-11-6-12-20-29)36(40(41(2,3)4)42(37,38)39)33(26-27)35(30-21-13-7-14-22-30)31-23-15-8-16-24-31/h5-26,34-35H,1-4H3
InChIKeyMBBNWOAJROVXQZ-UHFFFAOYSA-N
XLogP11.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.22
LogP ≤ 511.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2,6-dibenzhydryl-N-(2,6-dibenzhydryl-4-methylphenyl)-4-methyl-N-trimethylsilylaniline
CID 102191993
[4-(2,6-dibenzhydryl-4-methylphenyl)imidazol-2-ylidene]palladium
CID 175030395
1-[(3,5-dimethylphenyl)-phenylmethyl]-3,5-dimethylbenzene;ethane
CID 145412167
1-phenyl-N-trichlorosilyl-N-trimethylsilylethanamine
CID 71360479
2,4-dimethyl-1-[(4-methylphenyl)-phenylmethyl]benzene
CID 22389703
2-[[2-hydroxy-3-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-5-methylphenyl]-phenylmethyl]-6-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-4-methylphenol
CID 23156103
CID 166445578
CID 166445578
2-[(2,6-dibenzhydryl-4-methylphenyl)methyl]naphthalene-1,4-dione
CID 160558547
1,3-bis(2-benzhydryl-4,6-dimethylphenyl)imidazol-1-ium
CID 132596566
4-methyl-2,6-bis(1-phenylethyl)aniline;4-methyl-2,6-bis[(1R)-1-phenylethyl]aniline
CID 162252807
1-(2,6-dibenzhydryl-4-methoxyphenyl)-3-(2,6-dibenzhydryl-4-methylphenyl)-2H-imidazole
CID 158181373
(S)-(2-amino-3,5-dimethylphenyl)-phenylmethanol
CID 799505

Frequently Asked Questions

What is the IUPAC name of 2,6-dibenzhydryl-4-methyl-N-trichlorosilyl-N-trimethylsilylaniline?
The IUPAC name of 2,6-dibenzhydryl-4-methyl-N-trichlorosilyl-N-trimethylsilylaniline (CID 139157119) is 2,6-dibenzhydryl-4-methyl-N-trichlorosilyl-N-trimethylsilylaniline.
What is the SMILES notation for 2,6-dibenzhydryl-4-methyl-N-trichlorosilyl-N-trimethylsilylaniline?
The canonical SMILES for 2,6-dibenzhydryl-4-methyl-N-trichlorosilyl-N-trimethylsilylaniline is Cc1cc(C(c2ccccc2)c2ccccc2)c(N([Si](C)(C)C)[Si](Cl)(Cl)Cl)c(C(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 2,6-dibenzhydryl-4-methyl-N-trichlorosilyl-N-trimethylsilylaniline?
The InChIKey is MBBNWOAJROVXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36Cl3NSi2/c1-27-25-32(34(28-17-9-5-10-18-28)29-19-11-6-12-20-29)36(40(41(2,3)4)42(37,38)39)33(26-27)35(30-21-13-7-14-22-30)31-23-15-8-16-24-31/h5-26,34-35H,1-4H3.
What are the key properties of 2,6-dibenzhydryl-4-methyl-N-trichlorosilyl-N-trimethylsilylaniline?
2,6-dibenzhydryl-4-methyl-N-trichlorosilyl-N-trimethylsilylaniline has a molecular weight of 645.22 g/mol, XLogP of 11.15, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibenzhydryl-4-methyl-N-trichlorosilyl-N-trimethylsilylaniline is sourced from PubChem (CID 139157119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).