5,5-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]benzo[b][1]benzosilol-4-amine

C54H50N2Si — CID 168810187

IUPAC5,5-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]benzo[b][1]benzosilol-4-amine
SMILESC[Si]1(C)c2ccccc2-c2cccc(N(c3ccccc3)c3ccc(C4(c5ccc(N(c6ccccc6)c6ccccc6)cc5)C5CC6CC(C5)CC4C6)cc3)c21
InChIInChI=1S/C54H50N2Si/c1-57(2)52-24-13-12-21-49(52)50-22-14-23-51(53(50)57)56(46-19-10-5-11-20-46)48-31-27-41(28-32-48)54(42-34-38-33-39(36-42)37-43(54)35-38)40-25-29-47(30-26-40)55(44-15-6-3-7-16-44)45-17-8-4-9-18-45/h3-32,38-39,42-43H,33-37H2,1-2H3
InChIKeyNZRJNEWREVXWMM-UHFFFAOYSA-N
MW755.09 g/mol
LogP13.17
Rot. Bonds8

About 5,5-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]benzo[b][1]benzosilol-4-amine

5,5-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]benzo[b][1]benzosilol-4-amine (PubChem CID 168810187) has the molecular formula C54H50N2Si and a molecular weight of 755.09 g/mol. Its IUPAC name is 5,5-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]benzo[b][1]benzosilol-4-amine.

Molecular Properties

Compound Name5,5-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]benzo[b][1]benzosilol-4-amine
PubChem CID168810187
Molecular FormulaC54H50N2Si
Molecular Weight755.09 g/mol
Exact Mass754.37
IUPAC Name5,5-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]benzo[b][1]benzosilol-4-amine
SMILESC[Si]1(C)c2ccccc2-c2cccc(N(c3ccccc3)c3ccc(C4(c5ccc(N(c6ccccc6)c6ccccc6)cc5)C5CC6CC(C5)CC4C6)cc3)c21
InChIInChI=1S/C54H50N2Si/c1-57(2)52-24-13-12-21-49(52)50-22-14-23-51(53(50)57)56(46-19-10-5-11-20-46)48-31-27-41(28-32-48)54(42-34-38-33-39(36-42)37-43(54)35-38)40-25-29-47(30-26-40)55(44-15-6-3-7-16-44)45-17-8-4-9-18-45/h3-32,38-39,42-43H,33-37H2,1-2H3
InChIKeyNZRJNEWREVXWMM-UHFFFAOYSA-N
XLogP13.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.09
LogP ≤ 513.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5,5-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]benzo[b][1]benzosilol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]-2-adamantyl]phenyl]-5,5-dimethyl-N-phenylbenzo[b][1]benzosilol-3-amine
CID 168810623
N-[4-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]-2-adamantyl]phenyl]-5,5-dimethyl-N-phenylbenzo[b][1]benzosilol-2-amine
CID 168810688
9-ethyl-9-methyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]fluoren-1-amine
CID 168810459
N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-1'-amine
CID 168810569
N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]ethyl]phenyl]-5,5-dimethyl-N-phenylbenzo[b][1]benzosilol-4-amine
CID 168810272
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]fluoren-2-amine
CID 168744605
9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]-2-adamantyl]phenyl]fluoren-2-amine
CID 168744555
5,5-dimethyl-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]benzo[b][1]benzosilol-1-amine
CID 168810343
5,5,8,8-tetramethyl-N-phenyl-N-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)-6,7-dihydronaphthalen-1-amine
CID 176596011
9-N,23-N-bis(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
CID 155644721
5,5-dimethyl-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]benzo[b][1]benzosilol-3-amine
CID 168810236
N-naphthalen-1-yl-N-phenylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393699

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]benzo[b][1]benzosilol-4-amine?
The IUPAC name of 5,5-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]benzo[b][1]benzosilol-4-amine (CID 168810187) is 5,5-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]benzo[b][1]benzosilol-4-amine.
What is the SMILES notation for 5,5-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]benzo[b][1]benzosilol-4-amine?
The canonical SMILES for 5,5-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]benzo[b][1]benzosilol-4-amine is C[Si]1(C)c2ccccc2-c2cccc(N(c3ccccc3)c3ccc(C4(c5ccc(N(c6ccccc6)c6ccccc6)cc5)C5CC6CC(C5)CC4C6)cc3)c21.
What is the InChIKey of 5,5-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]benzo[b][1]benzosilol-4-amine?
The InChIKey is NZRJNEWREVXWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H50N2Si/c1-57(2)52-24-13-12-21-49(52)50-22-14-23-51(53(50)57)56(46-19-10-5-11-20-46)48-31-27-41(28-32-48)54(42-34-38-33-39(36-42)37-43(54)35-38)40-25-29-47(30-26-40)55(44-15-6-3-7-16-44)45-17-8-4-9-18-45/h3-32,38-39,42-43H,33-37H2,1-2H3.
What are the key properties of 5,5-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]benzo[b][1]benzosilol-4-amine?
5,5-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]benzo[b][1]benzosilol-4-amine has a molecular weight of 755.09 g/mol, XLogP of 13.17, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]benzo[b][1]benzosilol-4-amine is sourced from PubChem (CID 168810187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).