N-(2,4-diphenylphenyl)-5,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]benzo[b][1]benzosilol-1-amine

C60H43NSi — CID 142346953

IUPACN-(2,4-diphenylphenyl)-5,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]benzo[b][1]benzosilol-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4-c4ccccc4)c4cccc5c4-c4ccccc4[Si]5(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C60H43NSi/c1-6-19-44(20-7-1)46-33-35-47(36-34-46)48-37-40-51(41-38-48)61(56-42-39-50(45-21-8-2-9-22-45)43-55(56)49-23-10-3-11-24-49)57-30-18-32-59-60(57)54-29-16-17-31-58(54)62(59,52-25-12-4-13-26-52)53-27-14-5-15-28-53/h1-43H
InChIKeyYLYBUXXLBKYICE-UHFFFAOYSA-N
MW806.10 g/mol
LogP13.18
Rot. Bonds9

About N-(2,4-diphenylphenyl)-5,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]benzo[b][1]benzosilol-1-amine

N-(2,4-diphenylphenyl)-5,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]benzo[b][1]benzosilol-1-amine (PubChem CID 142346953) has the molecular formula C60H43NSi and a molecular weight of 806.10 g/mol. Its IUPAC name is N-(2,4-diphenylphenyl)-5,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]benzo[b][1]benzosilol-1-amine.

Molecular Properties

Compound NameN-(2,4-diphenylphenyl)-5,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]benzo[b][1]benzosilol-1-amine
PubChem CID142346953
Molecular FormulaC60H43NSi
Molecular Weight806.10 g/mol
Exact Mass805.32
IUPAC NameN-(2,4-diphenylphenyl)-5,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]benzo[b][1]benzosilol-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4-c4ccccc4)c4cccc5c4-c4ccccc4[Si]5(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C60H43NSi/c1-6-19-44(20-7-1)46-33-35-47(36-34-46)48-37-40-51(41-38-48)61(56-42-39-50(45-21-8-2-9-22-45)43-55(56)49-23-10-3-11-24-49)57-30-18-32-59-60(57)54-29-16-17-31-58(54)62(59,52-25-12-4-13-26-52)53-27-14-5-15-28-53/h1-43H
InChIKeyYLYBUXXLBKYICE-UHFFFAOYSA-N
XLogP13.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.10
LogP ≤ 513.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2,4-diphenylphenyl)-5,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]benzo[b][1]benzosilol-1-amine with MolForge

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Related Compounds

5,5-dinaphthalen-2-yl-N,N-bis(4-phenylphenyl)benzo[b][1]benzosilol-1-amine
CID 153426671
2,4-diphenyl-N-(2-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254200
N-[3-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)phenyl]-N-phenyl-3-(4-phenylphenyl)aniline
CID 176764651
2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254123
N,2-diphenyl-N-(2-phenylphenyl)-4-[3-phenyl-4-(N-(2-phenylphenyl)anilino)phenyl]aniline
CID 121322799
2-phenyl-N,N,4-tris(4-phenylphenyl)aniline
CID 155123029
5,5-diphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[b][1]benzosilol-4-amine
CID 153426606
N-[4-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 153282049
N-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-4-phenyl-N-(4-triphenylen-2-ylphenyl)aniline
CID 140719487
2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 172501823
N,2,4-triphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 122419765
N-(2,4-diphenylphenyl)-9-methylidene-N-(3-phenylphenyl)fluoren-1-amine
CID 134483784

Frequently Asked Questions

What is the IUPAC name of N-(2,4-diphenylphenyl)-5,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]benzo[b][1]benzosilol-1-amine?
The IUPAC name of N-(2,4-diphenylphenyl)-5,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]benzo[b][1]benzosilol-1-amine (CID 142346953) is N-(2,4-diphenylphenyl)-5,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]benzo[b][1]benzosilol-1-amine.
What is the SMILES notation for N-(2,4-diphenylphenyl)-5,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]benzo[b][1]benzosilol-1-amine?
The canonical SMILES for N-(2,4-diphenylphenyl)-5,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]benzo[b][1]benzosilol-1-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4-c4ccccc4)c4cccc5c4-c4ccccc4[Si]5(c4ccccc4)c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N-(2,4-diphenylphenyl)-5,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]benzo[b][1]benzosilol-1-amine?
The InChIKey is YLYBUXXLBKYICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H43NSi/c1-6-19-44(20-7-1)46-33-35-47(36-34-46)48-37-40-51(41-38-48)61(56-42-39-50(45-21-8-2-9-22-45)43-55(56)49-23-10-3-11-24-49)57-30-18-32-59-60(57)54-29-16-17-31-58(54)62(59,52-25-12-4-13-26-52)53-27-14-5-15-28-53/h1-43H.
What are the key properties of N-(2,4-diphenylphenyl)-5,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]benzo[b][1]benzosilol-1-amine?
N-(2,4-diphenylphenyl)-5,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]benzo[b][1]benzosilol-1-amine has a molecular weight of 806.10 g/mol, XLogP of 13.18, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diphenylphenyl)-5,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]benzo[b][1]benzosilol-1-amine is sourced from PubChem (CID 142346953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).