N-[4-(2-fluoro-5,5-diphenylbenzo[b][1]benzosilol-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8-triphenylbenzo[b][1]benzosilol-2-yl)phenyl]aniline

C114H81FN2Si2 — CID 161250382

IUPACN-[4-(2-fluoro-5,5-diphenylbenzo[b][1]benzosilol-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8-triphenylbenzo[b][1]benzosilol-2-yl)phenyl]aniline
SMILESFc1ccc2c(c1)-c1cc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)ccc1[Si]2(c1ccccc1)c1ccccc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)-c4cc(-c6ccccc6)ccc4[Si]5(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C60H43NSi.C54H38FNSi/c1-6-16-44(17-7-1)47-26-34-52(35-27-47)61(53-36-28-48(29-37-53)45-18-8-2-9-19-45)54-38-30-49(31-39-54)51-33-41-60-58(43-51)57-42-50(46-20-10-3-11-21-46)32-40-59(57)62(60,55-22-12-4-13-23-55)56-24-14-5-15-25-56;55-45-28-36-54-52(38-45)51-37-44(27-35-53(51)57(54,49-17-9-3-10-18-49)50-19-11-4-12-20-50)43-25-33-48(34-26-43)56(46-29-21-41(22-30-46)39-13-5-1-6-14-39)47-31-23-42(24-32-47)40-15-7-2-8-16-40/h1-43H;1-38H
InChIKeyVBEOOTRKTIUVTB-UHFFFAOYSA-N
MW1554.09 g/mol
LogP24.84
Rot. Bonds17

About N-[4-(2-fluoro-5,5-diphenylbenzo[b][1]benzosilol-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8-triphenylbenzo[b][1]benzosilol-2-yl)phenyl]aniline

N-[4-(2-fluoro-5,5-diphenylbenzo[b][1]benzosilol-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8-triphenylbenzo[b][1]benzosilol-2-yl)phenyl]aniline (PubChem CID 161250382) has the molecular formula C114H81FN2Si2 and a molecular weight of 1554.09 g/mol. Its IUPAC name is N-[4-(2-fluoro-5,5-diphenylbenzo[b][1]benzosilol-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8-triphenylbenzo[b][1]benzosilol-2-yl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-(2-fluoro-5,5-diphenylbenzo[b][1]benzosilol-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8-triphenylbenzo[b][1]benzosilol-2-yl)phenyl]aniline
PubChem CID161250382
Molecular FormulaC114H81FN2Si2
Molecular Weight1554.09 g/mol
Exact Mass1552.59
IUPAC NameN-[4-(2-fluoro-5,5-diphenylbenzo[b][1]benzosilol-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8-triphenylbenzo[b][1]benzosilol-2-yl)phenyl]aniline
SMILESFc1ccc2c(c1)-c1cc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)ccc1[Si]2(c1ccccc1)c1ccccc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)-c4cc(-c6ccccc6)ccc4[Si]5(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C60H43NSi.C54H38FNSi/c1-6-16-44(17-7-1)47-26-34-52(35-27-47)61(53-36-28-48(29-37-53)45-18-8-2-9-19-45)54-38-30-49(31-39-54)51-33-41-60-58(43-51)57-42-50(46-20-10-3-11-21-46)32-40-59(57)62(60,55-22-12-4-13-23-55)56-24-14-5-15-25-56;55-45-28-36-54-52(38-45)51-37-44(27-35-53(51)57(54,49-17-9-3-10-18-49)50-19-11-4-12-20-50)43-25-33-48(34-26-43)56(46-29-21-41(22-30-46)39-13-5-1-6-14-39)47-31-23-42(24-32-47)40-15-7-2-8-16-40/h1-43H;1-38H
InChIKeyVBEOOTRKTIUVTB-UHFFFAOYSA-N
XLogP24.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms119
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001554.09
LogP ≤ 524.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-(2-fluoro-5,5-diphenylbenzo[b][1]benzosilol-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8-triphenylbenzo[b][1]benzosilol-2-yl)phenyl]aniline with MolForge

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Related Compounds

N-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-4-phenyl-N-(4-triphenylen-2-ylphenyl)aniline
CID 140719487
2,8-bis(3,5-diphenylphenyl)-5,5-diphenylbenzo[b][1]benzosilole
CID 58971395
N-[4-(5,5-diphenylnaphtho[2,3-b][1]benzosilol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 140719464
N-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
CID 140728891
N-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-5,5-diphenyl-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)benzo[b][1]benzosilol-2-amine
CID 144766102
N-[3-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)phenyl]-N-phenyl-3-(4-phenylphenyl)aniline
CID 176764651
N-[4-[5,5-dimethyl-3-[4-(N-(4-phenylphenyl)anilino)phenyl]benzo[b][1]benzosilol-7-yl]phenyl]-N,4-diphenylaniline;4-[5,5-diphenyl-3-[4-(N-phenylanilino)phenyl]benzo[b][1]benzosilol-7-yl]-N,N-diphenylaniline;5,5-diphenyl-3-N,3-N,7-N,7-N-tetrakis(4-phenylphenyl)benzo[b][1]benzosilole-3,7-diamine;3-N,7-N,7-N,5,5-pentakis-phenyl-3-N-(4-phenylphenyl)benzo[b][1]benzosilole-3,7-diamine
CID 161337171
4-[5,5-dimethyl-3-[4-(N-phenylanilino)phenyl]benzo[b][1]benzosilol-7-yl]-N,N-diphenylaniline;5,5-dimethyl-7-N-phenyl-3-N,3-N-bis(4-phenylphenyl)-7-N-[4-(4-phenylphenyl)phenyl]benzo[b][1]benzosilole-3,7-diamine;3-N,3-N,7-N,7-N,5,5-hexakis-phenylbenzo[b][1]benzosilole-3,7-diamine;3-N,7-N,5,5-tetraphenyl-3-N,7-N-bis(4-phenylphenyl)benzo[b][1]benzosilole-3,7-diamine
CID 157189815
N-(2,4-diphenylphenyl)-5,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]benzo[b][1]benzosilol-1-amine
CID 142346953
N,N-diphenyl-4-(5-phenylbenzo[b][1]benzosilol-5-yl)aniline
CID 153426650
4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 134370557
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[3-(4-phenylphenyl)phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]aniline
CID 58672379

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluoro-5,5-diphenylbenzo[b][1]benzosilol-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8-triphenylbenzo[b][1]benzosilol-2-yl)phenyl]aniline?
The IUPAC name of N-[4-(2-fluoro-5,5-diphenylbenzo[b][1]benzosilol-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8-triphenylbenzo[b][1]benzosilol-2-yl)phenyl]aniline (CID 161250382) is N-[4-(2-fluoro-5,5-diphenylbenzo[b][1]benzosilol-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8-triphenylbenzo[b][1]benzosilol-2-yl)phenyl]aniline.
What is the SMILES notation for N-[4-(2-fluoro-5,5-diphenylbenzo[b][1]benzosilol-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8-triphenylbenzo[b][1]benzosilol-2-yl)phenyl]aniline?
The canonical SMILES for N-[4-(2-fluoro-5,5-diphenylbenzo[b][1]benzosilol-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8-triphenylbenzo[b][1]benzosilol-2-yl)phenyl]aniline is Fc1ccc2c(c1)-c1cc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)ccc1[Si]2(c1ccccc1)c1ccccc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)-c4cc(-c6ccccc6)ccc4[Si]5(c4ccccc4)c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(2-fluoro-5,5-diphenylbenzo[b][1]benzosilol-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8-triphenylbenzo[b][1]benzosilol-2-yl)phenyl]aniline?
The InChIKey is VBEOOTRKTIUVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H43NSi.C54H38FNSi/c1-6-16-44(17-7-1)47-26-34-52(35-27-47)61(53-36-28-48(29-37-53)45-18-8-2-9-19-45)54-38-30-49(31-39-54)51-33-41-60-58(43-51)57-42-50(46-20-10-3-11-21-46)32-40-59(57)62(60,55-22-12-4-13-23-55)56-24-14-5-15-25-56;55-45-28-36-54-52(38-45)51-37-44(27-35-53(51)57(54,49-17-9-3-10-18-49)50-19-11-4-12-20-50)43-25-33-48(34-26-43)56(46-29-21-41(22-30-46)39-13-5-1-6-14-39)47-31-23-42(24-32-47)40-15-7-2-8-16-40/h1-43H;1-38H.
What are the key properties of N-[4-(2-fluoro-5,5-diphenylbenzo[b][1]benzosilol-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8-triphenylbenzo[b][1]benzosilol-2-yl)phenyl]aniline?
N-[4-(2-fluoro-5,5-diphenylbenzo[b][1]benzosilol-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8-triphenylbenzo[b][1]benzosilol-2-yl)phenyl]aniline has a molecular weight of 1554.09 g/mol, XLogP of 24.84, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluoro-5,5-diphenylbenzo[b][1]benzosilol-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8-triphenylbenzo[b][1]benzosilol-2-yl)phenyl]aniline is sourced from PubChem (CID 161250382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).