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

C59H41N3SSi — CID 156664139

IUPAC2-N-dibenzothiophen-2-yl-8-N,8-N,5,5-tetraphenyl-2-N-(4-pyridin-3-ylphenyl)benzo[b][1]benzosilole-2,8-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)-c2cc(N(c4ccc(-c5cccnc5)cc4)c4ccc5sc6ccccc6c5c4)ccc2[Si]3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C59H41N3SSi/c1-5-17-44(18-6-1)61(45-19-7-2-8-20-45)48-32-35-58-54(39-48)55-40-49(33-36-59(55)64(58,50-21-9-3-10-22-50)51-23-11-4-12-24-51)62(46-29-27-42(28-30-46)43-16-15-37-60-41-43)47-31-34-57-53(38-47)52-25-13-14-26-56(52)63-57/h1-41H
InChIKeySAAZGHSKLJADSH-UHFFFAOYSA-N
MW852.15 g/mol
LogP13.41
Rot. Bonds9

About 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

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 (PubChem CID 156664139) has the molecular formula C59H41N3SSi and a molecular weight of 852.15 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-N-dibenzothiophen-2-yl-8-N,8-N,5,5-tetraphenyl-2-N-(4-pyridin-3-ylphenyl)benzo[b][1]benzosilole-2,8-diamine
PubChem CID156664139
Molecular FormulaC59H41N3SSi
Molecular Weight852.15 g/mol
Exact Mass851.28
IUPAC Name2-N-dibenzothiophen-2-yl-8-N,8-N,5,5-tetraphenyl-2-N-(4-pyridin-3-ylphenyl)benzo[b][1]benzosilole-2,8-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)-c2cc(N(c4ccc(-c5cccnc5)cc4)c4ccc5sc6ccccc6c5c4)ccc2[Si]3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C59H41N3SSi/c1-5-17-44(18-6-1)61(45-19-7-2-8-20-45)48-32-35-58-54(39-48)55-40-49(33-36-59(55)64(58,50-21-9-3-10-22-50)51-23-11-4-12-24-51)62(46-29-27-42(28-30-46)43-16-15-37-60-41-43)47-31-34-57-53(38-47)52-25-13-14-26-56(52)63-57/h1-41H
InChIKeySAAZGHSKLJADSH-UHFFFAOYSA-N
XLogP13.41
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.15
LogP ≤ 513.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[5,5-diphenyl-8-(N-phenylanilino)benzo[b][1]benzosilol-3-yl]phenyl]-N-phenyldibenzothiophen-2-amine
CID 156664113
N,N-bis(4-phenylphenyl)-[1]benzothiolo[2,3-c]pyridin-6-amine
CID 166860561
N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]pyridin-8-amine
CID 166860748
2-N-dibenzofuran-3-yl-7-N-dibenzothiophen-2-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-2-yl-2-N,2-N-diphenyl-7-N-(4-pyridin-3-ylphenyl)dibenzothiophene-2,7-diamine;2-N,2-N-di(dibenzofuran-2-yl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine
CID 157139341
N,N-bis(4-pyridin-4-ylphenyl)dibenzothiophen-2-amine
CID 169061390
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90350979
2-(2-dibenzothiophen-2-yl-5,5-diphenylbenzo[b][1]benzosilol-8-yl)dibenzothiophene
CID 177091653
N,8-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 139552059
N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline
CID 157402984
8-dibenzothiophen-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90076252
N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90350992
N,N-bis(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-6-amine
CID 166860696

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(N(c2ccccc2)c2ccc3c(c2)-c2cc(N(c4ccc(-c5cccnc5)cc4)c4ccc5sc6ccccc6c5c4)ccc2[Si]3(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 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?
The InChIKey is SAAZGHSKLJADSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H41N3SSi/c1-5-17-44(18-6-1)61(45-19-7-2-8-20-45)48-32-35-58-54(39-48)55-40-49(33-36-59(55)64(58,50-21-9-3-10-22-50)51-23-11-4-12-24-51)62(46-29-27-42(28-30-46)43-16-15-37-60-41-43)47-31-34-57-53(38-47)52-25-13-14-26-56(52)63-57/h1-41H.
What are the key properties of 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?
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 has a molecular weight of 852.15 g/mol, XLogP of 13.41, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 156664139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).