N-(2-bromophenyl)-5,5-dimethyl-N-phenylbenzo[b][1]benzosilol-3-amine

C26H22BrNSi — CID 170929734

IUPACN-(2-bromophenyl)-5,5-dimethyl-N-phenylbenzo[b][1]benzosilol-3-amine
SMILESC[Si]1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccccc3Br)cc21
InChIInChI=1S/C26H22BrNSi/c1-29(2)25-15-9-6-12-21(25)22-17-16-20(18-26(22)29)28(19-10-4-3-5-11-19)24-14-8-7-13-23(24)27/h3-18H,1-2H3
InChIKeyUWYGVZXERQBWKD-UHFFFAOYSA-N
MW456.46 g/mol
LogP6.72
Rot. Bonds3

About N-(2-bromophenyl)-5,5-dimethyl-N-phenylbenzo[b][1]benzosilol-3-amine

N-(2-bromophenyl)-5,5-dimethyl-N-phenylbenzo[b][1]benzosilol-3-amine (PubChem CID 170929734) has the molecular formula C26H22BrNSi and a molecular weight of 456.46 g/mol. Its IUPAC name is N-(2-bromophenyl)-5,5-dimethyl-N-phenylbenzo[b][1]benzosilol-3-amine.

Molecular Properties

Compound NameN-(2-bromophenyl)-5,5-dimethyl-N-phenylbenzo[b][1]benzosilol-3-amine
PubChem CID170929734
Molecular FormulaC26H22BrNSi
Molecular Weight456.46 g/mol
Exact Mass455.07
IUPAC NameN-(2-bromophenyl)-5,5-dimethyl-N-phenylbenzo[b][1]benzosilol-3-amine
SMILESC[Si]1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccccc3Br)cc21
InChIInChI=1S/C26H22BrNSi/c1-29(2)25-15-9-6-12-21(25)22-17-16-20(18-26(22)29)28(19-10-4-3-5-11-19)24-14-8-7-13-23(24)27/h3-18H,1-2H3
InChIKeyUWYGVZXERQBWKD-UHFFFAOYSA-N
XLogP6.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.46
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5,5-dimethyl-N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]benzo[b][1]benzosilol-3-amine
CID 168810421
N-(9,9-dimethylfluoren-4-yl)-5,5-dimethyl-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine
CID 176605592
N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-5,5-dimethyl-8-phenyl-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine
CID 162504528
5,5-dimethyl-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]benzo[b][1]benzosilol-3-amine
CID 168810236
20,20-dimethyl-N-phenyl-N-(2-phenylphenyl)-4-[4-(N-(2-phenylphenyl)anilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine
CID 140757241
8,8-dimethyl-5-N,14-N-diphenyl-5-N,14-N-bis(4-phenylphenyl)-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene-5,14-diamine
CID 140757142
N-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-5,5-dimethyl-7-naphthalen-2-yl-N-(3-phenylphenyl)benzo[b][1]benzosilol-3-amine
CID 162504602
N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-5,5-dimethyl-7-naphthalen-2-yl-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine
CID 162504651
2-bromo-N-(4-methylphenyl)-N-phenylaniline
CID 138413970
8,8-dimethyl-14-N-naphthalen-2-yl-5-N,14-N-diphenyl-5-N-(2-phenylphenyl)-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene-5,14-diamine
CID 140757027
5,5-dimethyl-N,N-di(phenanthren-9-yl)benzo[b][1]benzosilol-3-amine
CID 140728881
N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-5,5-dimethyl-N-(6-phenylnaphthalen-2-yl)benzo[b][1]benzosilol-3-amine
CID 162504511

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-5,5-dimethyl-N-phenylbenzo[b][1]benzosilol-3-amine?
The IUPAC name of N-(2-bromophenyl)-5,5-dimethyl-N-phenylbenzo[b][1]benzosilol-3-amine (CID 170929734) is N-(2-bromophenyl)-5,5-dimethyl-N-phenylbenzo[b][1]benzosilol-3-amine.
What is the SMILES notation for N-(2-bromophenyl)-5,5-dimethyl-N-phenylbenzo[b][1]benzosilol-3-amine?
The canonical SMILES for N-(2-bromophenyl)-5,5-dimethyl-N-phenylbenzo[b][1]benzosilol-3-amine is C[Si]1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccccc3Br)cc21.
What is the InChIKey of N-(2-bromophenyl)-5,5-dimethyl-N-phenylbenzo[b][1]benzosilol-3-amine?
The InChIKey is UWYGVZXERQBWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22BrNSi/c1-29(2)25-15-9-6-12-21(25)22-17-16-20(18-26(22)29)28(19-10-4-3-5-11-19)24-14-8-7-13-23(24)27/h3-18H,1-2H3.
What are the key properties of N-(2-bromophenyl)-5,5-dimethyl-N-phenylbenzo[b][1]benzosilol-3-amine?
N-(2-bromophenyl)-5,5-dimethyl-N-phenylbenzo[b][1]benzosilol-3-amine has a molecular weight of 456.46 g/mol, XLogP of 6.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-5,5-dimethyl-N-phenylbenzo[b][1]benzosilol-3-amine is sourced from PubChem (CID 170929734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).