N-[3-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)phenyl]-N-phenyl-3-(4-phenylphenyl)aniline

C54H39NSi — CID 176764651

IUPACN-[3-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)phenyl]-N-phenyl-3-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3cccc(N(c4ccccc4)c4cccc(-c5cccc6c5-c5ccccc5[Si]6(c5ccccc5)c5ccccc5)c4)c3)cc2)cc1
InChIInChI=1S/C54H39NSi/c1-5-18-40(19-6-1)41-34-36-42(37-35-41)43-20-15-24-46(38-43)55(45-22-7-2-8-23-45)47-25-16-21-44(39-47)50-31-17-33-53-54(50)51-30-13-14-32-52(51)56(53,48-26-9-3-10-27-48)49-28-11-4-12-29-49/h1-39H
InChIKeyHVHUOCVBIRPWDZ-UHFFFAOYSA-N
MW730.00 g/mol
LogP11.52
Rot. Bonds8

About N-[3-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)phenyl]-N-phenyl-3-(4-phenylphenyl)aniline

N-[3-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)phenyl]-N-phenyl-3-(4-phenylphenyl)aniline (PubChem CID 176764651) has the molecular formula C54H39NSi and a molecular weight of 730.00 g/mol. Its IUPAC name is N-[3-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)phenyl]-N-phenyl-3-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[3-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)phenyl]-N-phenyl-3-(4-phenylphenyl)aniline
PubChem CID176764651
Molecular FormulaC54H39NSi
Molecular Weight730.00 g/mol
Exact Mass729.29
IUPAC NameN-[3-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)phenyl]-N-phenyl-3-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3cccc(N(c4ccccc4)c4cccc(-c5cccc6c5-c5ccccc5[Si]6(c5ccccc5)c5ccccc5)c4)c3)cc2)cc1
InChIInChI=1S/C54H39NSi/c1-5-18-40(19-6-1)41-34-36-42(37-35-41)43-20-15-24-46(38-43)55(45-22-7-2-8-23-45)47-25-16-21-44(39-47)50-31-17-33-53-54(50)51-30-13-14-32-52(51)56(53,48-26-9-3-10-27-48)49-28-11-4-12-29-49/h1-39H
InChIKeyHVHUOCVBIRPWDZ-UHFFFAOYSA-N
XLogP11.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.00
LogP ≤ 511.52
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

N-(2,4-diphenylphenyl)-5,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]benzo[b][1]benzosilol-1-amine
CID 142346953
N,N-diphenyl-3-[2-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58729717
2-[3-[3-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 155787059
3-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N-(4-phenylphenyl)-N-[4-[2-(3-phenylphenyl)phenyl]phenyl]aniline;3-phenyl-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 161496261
N,N-diphenyl-4-(5-phenylbenzo[b][1]benzosilol-5-yl)aniline
CID 153426650
3-(2-phenylphenyl)-N,N-bis[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 146665629
3-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121386998
N-phenyl-N-(4-phenylphenyl)-5,5'-spirobi[benzo[b][1]benzosilole]-3-amine
CID 166025194
N-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-4-phenyl-N-(4-triphenylen-2-ylphenyl)aniline
CID 140719487
N,3-diphenyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 22013506
N,N-diphenyl-3-[4-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline;N,N-diphenyl-3-[4-[3-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 159305688
N,3-diphenyl-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 59090384

Frequently Asked Questions

What is the IUPAC name of N-[3-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)phenyl]-N-phenyl-3-(4-phenylphenyl)aniline?
The IUPAC name of N-[3-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)phenyl]-N-phenyl-3-(4-phenylphenyl)aniline (CID 176764651) is N-[3-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)phenyl]-N-phenyl-3-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[3-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)phenyl]-N-phenyl-3-(4-phenylphenyl)aniline?
The canonical SMILES for N-[3-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)phenyl]-N-phenyl-3-(4-phenylphenyl)aniline is c1ccc(-c2ccc(-c3cccc(N(c4ccccc4)c4cccc(-c5cccc6c5-c5ccccc5[Si]6(c5ccccc5)c5ccccc5)c4)c3)cc2)cc1.
What is the InChIKey of N-[3-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)phenyl]-N-phenyl-3-(4-phenylphenyl)aniline?
The InChIKey is HVHUOCVBIRPWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39NSi/c1-5-18-40(19-6-1)41-34-36-42(37-35-41)43-20-15-24-46(38-43)55(45-22-7-2-8-23-45)47-25-16-21-44(39-47)50-31-17-33-53-54(50)51-30-13-14-32-52(51)56(53,48-26-9-3-10-27-48)49-28-11-4-12-29-49/h1-39H.
What are the key properties of N-[3-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)phenyl]-N-phenyl-3-(4-phenylphenyl)aniline?
N-[3-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)phenyl]-N-phenyl-3-(4-phenylphenyl)aniline has a molecular weight of 730.00 g/mol, XLogP of 11.52, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)phenyl]-N-phenyl-3-(4-phenylphenyl)aniline is sourced from PubChem (CID 176764651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).