10,10-di(dibenzothiophen-3-yl)-N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine

C83H54N2S2Si — CID 147985996

IUPAC10,10-di(dibenzothiophen-3-yl)-N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine
SMILESc1ccc(N2c3ccccc3[Si](c3ccc4c(c3)sc3ccccc34)(c3ccc4c(c3)sc3ccccc34)c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc32)cc1
InChIInChI=1S/C83H54N2S2Si/c1-4-23-57(24-5-1)83(58-25-6-2-7-26-58)73-34-15-12-30-67(73)68-47-43-61(51-74(68)83)84(60-41-39-56(40-42-60)66-33-20-22-55-21-10-11-29-65(55)66)62-44-50-82-76(52-62)85(59-27-8-3-9-28-59)75-35-16-19-38-81(75)88(82,63-45-48-71-69-31-13-17-36-77(69)86-79(71)53-63)64-46-49-72-70-32-14-18-37-78(70)87-80(72)54-64/h1-54H
InChIKeyIUDJARKXABAEBV-UHFFFAOYSA-N
MW1171.58 g/mol
LogP20.24
Rot. Bonds9

About 10,10-di(dibenzothiophen-3-yl)-N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine

10,10-di(dibenzothiophen-3-yl)-N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine (PubChem CID 147985996) has the molecular formula C83H54N2S2Si and a molecular weight of 1171.58 g/mol. Its IUPAC name is 10,10-di(dibenzothiophen-3-yl)-N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine.

Molecular Properties

Compound Name10,10-di(dibenzothiophen-3-yl)-N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine
PubChem CID147985996
Molecular FormulaC83H54N2S2Si
Molecular Weight1171.58 g/mol
Exact Mass1170.35
IUPAC Name10,10-di(dibenzothiophen-3-yl)-N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine
SMILESc1ccc(N2c3ccccc3[Si](c3ccc4c(c3)sc3ccccc34)(c3ccc4c(c3)sc3ccccc34)c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc32)cc1
InChIInChI=1S/C83H54N2S2Si/c1-4-23-57(24-5-1)83(58-25-6-2-7-26-58)73-34-15-12-30-67(73)68-47-43-61(51-74(68)83)84(60-41-39-56(40-42-60)66-33-20-22-55-21-10-11-29-65(55)66)62-44-50-82-76(52-62)85(59-27-8-3-9-28-59)75-35-16-19-38-81(75)88(82,63-45-48-71-69-31-13-17-36-77(69)86-79(71)53-63)64-46-49-72-70-32-14-18-37-78(70)87-80(72)54-64/h1-54H
InChIKeyIUDJARKXABAEBV-UHFFFAOYSA-N
XLogP20.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001171.58
LogP ≤ 520.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 10,10-di(dibenzothiophen-3-yl)-N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine with MolForge

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-amine
CID 153459019
N-dibenzofuran-2-yl-14,14-di(dibenzothiophen-3-yl)-N-(4-naphthalen-1-ylphenyl)-21-phenyl-10-oxa-21-aza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-7-amine
CID 149030826
N-[4-(1,13-diphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzothiophen-3-amine
CID 168750641
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine
CID 168846173
N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 155240522
N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-9-(2-phenylphenyl)dibenzothiophen-3-amine
CID 176630483
N-phenanthren-2-yl-N-[4-[3-(5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-10-yl)phenyl]phenyl]dibenzothiophen-2-amine;4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-[4-(5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-10-yl)phenyl]phenyl]aniline;N,9,9-triphenyl-N-[3-(5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-10-yl)phenyl]fluoren-2-amine
CID 161156444
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 165010154
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 167324649
N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 168767225
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzothiophen-3-amine
CID 167322834
N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenyl-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 171451843

Frequently Asked Questions

What is the IUPAC name of 10,10-di(dibenzothiophen-3-yl)-N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine?
The IUPAC name of 10,10-di(dibenzothiophen-3-yl)-N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine (CID 147985996) is 10,10-di(dibenzothiophen-3-yl)-N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine.
What is the SMILES notation for 10,10-di(dibenzothiophen-3-yl)-N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine?
The canonical SMILES for 10,10-di(dibenzothiophen-3-yl)-N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine is c1ccc(N2c3ccccc3[Si](c3ccc4c(c3)sc3ccccc34)(c3ccc4c(c3)sc3ccccc34)c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc32)cc1.
What is the InChIKey of 10,10-di(dibenzothiophen-3-yl)-N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine?
The InChIKey is IUDJARKXABAEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H54N2S2Si/c1-4-23-57(24-5-1)83(58-25-6-2-7-26-58)73-34-15-12-30-67(73)68-47-43-61(51-74(68)83)84(60-41-39-56(40-42-60)66-33-20-22-55-21-10-11-29-65(55)66)62-44-50-82-76(52-62)85(59-27-8-3-9-28-59)75-35-16-19-38-81(75)88(82,63-45-48-71-69-31-13-17-36-77(69)86-79(71)53-63)64-46-49-72-70-32-14-18-37-78(70)87-80(72)54-64/h1-54H.
What are the key properties of 10,10-di(dibenzothiophen-3-yl)-N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine?
10,10-di(dibenzothiophen-3-yl)-N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine has a molecular weight of 1171.58 g/mol, XLogP of 20.24, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-di(dibenzothiophen-3-yl)-N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine is sourced from PubChem (CID 147985996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).