N-[3-[5,5-diphenyl-8-(N-phenylanilino)benzo[b][1]benzosilol-3-yl]phenyl]-N-phenyldibenzothiophen-2-amine

C60H42N2SSi — CID 156664113

IUPACN-[3-[5,5-diphenyl-8-(N-phenylanilino)benzo[b][1]benzosilol-3-yl]phenyl]-N-phenyldibenzothiophen-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)-c2ccc(-c4cccc(N(c5ccccc5)c5ccc6sc7ccccc7c6c5)c4)cc2[Si]3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C60H42N2SSi/c1-6-20-45(21-7-1)61(46-22-8-2-9-23-46)50-35-38-59-56(42-50)54-36-33-44(40-60(54)64(59,51-27-12-4-13-28-51)52-29-14-5-15-30-52)43-19-18-26-48(39-43)62(47-24-10-3-11-25-47)49-34-37-58-55(41-49)53-31-16-17-32-57(53)63-58/h1-42H
InChIKeyOZZQEXDGGAXVQW-UHFFFAOYSA-N
MW851.16 g/mol
LogP14.02
Rot. Bonds9

About N-[3-[5,5-diphenyl-8-(N-phenylanilino)benzo[b][1]benzosilol-3-yl]phenyl]-N-phenyldibenzothiophen-2-amine

N-[3-[5,5-diphenyl-8-(N-phenylanilino)benzo[b][1]benzosilol-3-yl]phenyl]-N-phenyldibenzothiophen-2-amine (PubChem CID 156664113) has the molecular formula C60H42N2SSi and a molecular weight of 851.16 g/mol. Its IUPAC name is N-[3-[5,5-diphenyl-8-(N-phenylanilino)benzo[b][1]benzosilol-3-yl]phenyl]-N-phenyldibenzothiophen-2-amine.

Molecular Properties

Compound NameN-[3-[5,5-diphenyl-8-(N-phenylanilino)benzo[b][1]benzosilol-3-yl]phenyl]-N-phenyldibenzothiophen-2-amine
PubChem CID156664113
Molecular FormulaC60H42N2SSi
Molecular Weight851.16 g/mol
Exact Mass850.28
IUPAC NameN-[3-[5,5-diphenyl-8-(N-phenylanilino)benzo[b][1]benzosilol-3-yl]phenyl]-N-phenyldibenzothiophen-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)-c2ccc(-c4cccc(N(c5ccccc5)c5ccc6sc7ccccc7c6c5)c4)cc2[Si]3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C60H42N2SSi/c1-6-20-45(21-7-1)61(46-22-8-2-9-23-46)50-35-38-59-56(42-50)54-36-33-44(40-60(54)64(59,51-27-12-4-13-28-51)52-29-14-5-15-30-52)43-19-18-26-48(39-43)62(47-24-10-3-11-25-47)49-34-37-58-55(41-49)53-31-16-17-32-57(53)63-58/h1-42H
InChIKeyOZZQEXDGGAXVQW-UHFFFAOYSA-N
XLogP14.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500851.16
LogP ≤ 514.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N-dibenzothiophen-2-yl-8-N,8-N,5,5-tetraphenyl-2-N-(4-pyridin-3-ylphenyl)benzo[b][1]benzosilole-2,8-diamine
CID 156664139
2-(2-dibenzothiophen-2-yl-5,5-diphenylbenzo[b][1]benzosilol-8-yl)dibenzothiophene
CID 177091653
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]dibenzothiophene-2,7-diamine
CID 131979873
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 121261333
N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline
CID 157402984
N-[4-[7,7-dimethyl-10-(N-phenylanilino)naphtho[2,1-b][1]benzosilol-6-yl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine;N-[2-[5,5-diphenyl-8-(N-phenylanilino)benzo[b][1]benzosilol-3-yl]phenyl]-N-phenyldibenzothiophen-2-amine;N-[3-[5,5-diphenyl-8-(N-phenylanilino)benzo[b][1]benzosilol-3-yl]phenyl]-N-phenyldibenzothiophen-2-amine
CID 159730607
N,8-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 139552059
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90350979
3-(8-dibenzothiophen-3-yldibenzothiophen-2-yl)-N,N-diphenylaniline
CID 90076169
2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 131979910
N-(3-phenylphenyl)-N-triphenylen-2-yldibenzothiophen-2-amine
CID 118214718
N-[4-[4-(N-dibenzothiophen-2-ylanilino)naphthalen-1-yl]phenyl]-N-phenyldibenzothiophen-2-amine
CID 71126719

Frequently Asked Questions

What is the IUPAC name of N-[3-[5,5-diphenyl-8-(N-phenylanilino)benzo[b][1]benzosilol-3-yl]phenyl]-N-phenyldibenzothiophen-2-amine?
The IUPAC name of N-[3-[5,5-diphenyl-8-(N-phenylanilino)benzo[b][1]benzosilol-3-yl]phenyl]-N-phenyldibenzothiophen-2-amine (CID 156664113) is N-[3-[5,5-diphenyl-8-(N-phenylanilino)benzo[b][1]benzosilol-3-yl]phenyl]-N-phenyldibenzothiophen-2-amine.
What is the SMILES notation for N-[3-[5,5-diphenyl-8-(N-phenylanilino)benzo[b][1]benzosilol-3-yl]phenyl]-N-phenyldibenzothiophen-2-amine?
The canonical SMILES for N-[3-[5,5-diphenyl-8-(N-phenylanilino)benzo[b][1]benzosilol-3-yl]phenyl]-N-phenyldibenzothiophen-2-amine is c1ccc(N(c2ccccc2)c2ccc3c(c2)-c2ccc(-c4cccc(N(c5ccccc5)c5ccc6sc7ccccc7c6c5)c4)cc2[Si]3(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[3-[5,5-diphenyl-8-(N-phenylanilino)benzo[b][1]benzosilol-3-yl]phenyl]-N-phenyldibenzothiophen-2-amine?
The InChIKey is OZZQEXDGGAXVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2SSi/c1-6-20-45(21-7-1)61(46-22-8-2-9-23-46)50-35-38-59-56(42-50)54-36-33-44(40-60(54)64(59,51-27-12-4-13-28-51)52-29-14-5-15-30-52)43-19-18-26-48(39-43)62(47-24-10-3-11-25-47)49-34-37-58-55(41-49)53-31-16-17-32-57(53)63-58/h1-42H.
What are the key properties of N-[3-[5,5-diphenyl-8-(N-phenylanilino)benzo[b][1]benzosilol-3-yl]phenyl]-N-phenyldibenzothiophen-2-amine?
N-[3-[5,5-diphenyl-8-(N-phenylanilino)benzo[b][1]benzosilol-3-yl]phenyl]-N-phenyldibenzothiophen-2-amine has a molecular weight of 851.16 g/mol, XLogP of 14.02, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5,5-diphenyl-8-(N-phenylanilino)benzo[b][1]benzosilol-3-yl]phenyl]-N-phenyldibenzothiophen-2-amine is sourced from PubChem (CID 156664113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).