N-[4-(5,8-dimethyl-5,8-diphenylfluoreno[4,3-b][1,4]benzothiasilin-1-yl)phenyl]-N,4-diphenylaniline;N-[4-(5,8-dimethyl-5,8-diphenylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-(5,8-dimethyl-5,8-diphenylindeno[2,1-c]thioxanthen-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C176H131N3OS2Si2 — CID 157137300

IUPACN-[4-(5,8-dimethyl-5,8-diphenylfluoreno[4,3-b][1,4]benzothiasilin-1-yl)phenyl]-N,4-diphenylaniline;N-[4-(5,8-dimethyl-5,8-diphenylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-(5,8-dimethyl-5,8-diphenylindeno[2,1-c]thioxanthen-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESCC1(c2ccccc2)c2cccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)c2Sc2c1ccc1c2-c2ccccc2C1(C)c1ccccc1.CC1(c2ccccc2)c2ccccc2-c2c1ccc1c2Oc2c(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cccc2[Si]1(C)c1ccccc1.CC1(c2ccccc2)c2ccccc2-c2c1ccc1c2Sc2c(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)cccc2[Si]1(C)c1ccccc1
InChIInChI=1S/C64H47NS.C57H43NSSi.C55H41NOSi/c1-63(49-22-11-5-12-23-49)56-28-16-15-26-55(56)60-57(63)42-43-59-62(60)66-61-54(27-17-29-58(61)64(59,2)50-24-13-6-14-25-50)48-34-40-53(41-35-48)65(51-36-30-46(31-37-51)44-18-7-3-8-19-44)52-38-32-47(33-39-52)45-20-9-4-10-21-45;1-57(43-20-9-4-10-21-43)50-28-16-15-26-49(50)54-51(57)38-39-53-56(54)59-55-48(27-17-29-52(55)60(53,2)47-24-13-6-14-25-47)42-32-36-46(37-33-42)58(44-22-11-5-12-23-44)45-34-30-41(31-35-45)40-18-7-3-8-19-40;1-55(40-20-6-3-7-21-40)47-29-15-14-27-46(47)52-48(55)36-37-51-54(52)57-53-45(28-17-31-50(53)58(51,2)43-24-10-5-11-25-43)39-32-34-42(35-33-39)56(41-22-8-4-9-23-41)49-30-16-19-38-18-12-13-26-44(38)49/h3-43H,1-2H3;3-39H,1-2H3;3-37H,1-2H3
InChIKeyAJTPYILSHMBOSE-UHFFFAOYSA-N
MW2424.31 g/mol
LogP43.22
Rot. Bonds21

About N-[4-(5,8-dimethyl-5,8-diphenylfluoreno[4,3-b][1,4]benzothiasilin-1-yl)phenyl]-N,4-diphenylaniline;N-[4-(5,8-dimethyl-5,8-diphenylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-(5,8-dimethyl-5,8-diphenylindeno[2,1-c]thioxanthen-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-(5,8-dimethyl-5,8-diphenylfluoreno[4,3-b][1,4]benzothiasilin-1-yl)phenyl]-N,4-diphenylaniline;N-[4-(5,8-dimethyl-5,8-diphenylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-(5,8-dimethyl-5,8-diphenylindeno[2,1-c]thioxanthen-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 157137300) has the molecular formula C176H131N3OS2Si2 and a molecular weight of 2424.31 g/mol. Its IUPAC name is N-[4-(5,8-dimethyl-5,8-diphenylfluoreno[4,3-b][1,4]benzothiasilin-1-yl)phenyl]-N,4-diphenylaniline;N-[4-(5,8-dimethyl-5,8-diphenylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-(5,8-dimethyl-5,8-diphenylindeno[2,1-c]thioxanthen-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(5,8-dimethyl-5,8-diphenylfluoreno[4,3-b][1,4]benzothiasilin-1-yl)phenyl]-N,4-diphenylaniline;N-[4-(5,8-dimethyl-5,8-diphenylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-(5,8-dimethyl-5,8-diphenylindeno[2,1-c]thioxanthen-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID157137300
Molecular FormulaC176H131N3OS2Si2
Molecular Weight2424.31 g/mol
Exact Mass2421.93
IUPAC NameN-[4-(5,8-dimethyl-5,8-diphenylfluoreno[4,3-b][1,4]benzothiasilin-1-yl)phenyl]-N,4-diphenylaniline;N-[4-(5,8-dimethyl-5,8-diphenylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-(5,8-dimethyl-5,8-diphenylindeno[2,1-c]thioxanthen-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESCC1(c2ccccc2)c2cccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)c2Sc2c1ccc1c2-c2ccccc2C1(C)c1ccccc1.CC1(c2ccccc2)c2ccccc2-c2c1ccc1c2Oc2c(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cccc2[Si]1(C)c1ccccc1.CC1(c2ccccc2)c2ccccc2-c2c1ccc1c2Sc2c(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)cccc2[Si]1(C)c1ccccc1
InChIInChI=1S/C64H47NS.C57H43NSSi.C55H41NOSi/c1-63(49-22-11-5-12-23-49)56-28-16-15-26-55(56)60-57(63)42-43-59-62(60)66-61-54(27-17-29-58(61)64(59,2)50-24-13-6-14-25-50)48-34-40-53(41-35-48)65(51-36-30-46(31-37-51)44-18-7-3-8-19-44)52-38-32-47(33-39-52)45-20-9-4-10-21-45;1-57(43-20-9-4-10-21-43)50-28-16-15-26-49(50)54-51(57)38-39-53-56(54)59-55-48(27-17-29-52(55)60(53,2)47-24-13-6-14-25-47)42-32-36-46(37-33-42)58(44-22-11-5-12-23-44)45-34-30-41(31-35-45)40-18-7-3-8-19-40;1-55(40-20-6-3-7-21-40)47-29-15-14-27-46(47)52-48(55)36-37-51-54(52)57-53-45(28-17-31-50(53)58(51,2)43-24-10-5-11-25-43)39-32-34-42(35-33-39)56(41-22-8-4-9-23-41)49-30-16-19-38-18-12-13-26-44(38)49/h3-43H,1-2H3;3-39H,1-2H3;3-37H,1-2H3
InChIKeyAJTPYILSHMBOSE-UHFFFAOYSA-N
XLogP43.22
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms184
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002424.31
LogP ≤ 543.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-(5,8-dimethyl-5,8-diphenylfluoreno[4,3-b][1,4]benzothiasilin-1-yl)phenyl]-N,4-diphenylaniline;N-[4-(5,8-dimethyl-5,8-diphenylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-(5,8-dimethyl-5,8-diphenylindeno[2,1-c]thioxanthen-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline with MolForge

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Related Compounds

N-(4-phenylphenyl)-N-[4-(5,8,8-trimethyl-5-phenylindeno[2,1-c]thioxanthen-1-yl)phenyl]naphthalen-1-amine
CID 118081266
N-[4-(5,8-dimethyl-5,8-diphenylindeno[2,1-c]xanthen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 118081268
N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 169020125
N-[4-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 123221354
N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline
CID 169020283
N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 169019655
9-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9-phenylfluoren-4-amine
CID 169019683
N-[4-(9,9-diphenylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 118134188
N-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 123565819
9-methyl-N-(3-phenanthren-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9-phenylfluoren-4-amine
CID 142614739
9-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9-phenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 169020096
N-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)-8,8-dimethyl-N-[4-(5,5,8,8-tetramethylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)phenyl]indeno[1,2-a]oxanthren-10-amine
CID 123954499

Frequently Asked Questions

What is the IUPAC name of N-[4-(5,8-dimethyl-5,8-diphenylfluoreno[4,3-b][1,4]benzothiasilin-1-yl)phenyl]-N,4-diphenylaniline;N-[4-(5,8-dimethyl-5,8-diphenylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-(5,8-dimethyl-5,8-diphenylindeno[2,1-c]thioxanthen-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(5,8-dimethyl-5,8-diphenylfluoreno[4,3-b][1,4]benzothiasilin-1-yl)phenyl]-N,4-diphenylaniline;N-[4-(5,8-dimethyl-5,8-diphenylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-(5,8-dimethyl-5,8-diphenylindeno[2,1-c]thioxanthen-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 157137300) is N-[4-(5,8-dimethyl-5,8-diphenylfluoreno[4,3-b][1,4]benzothiasilin-1-yl)phenyl]-N,4-diphenylaniline;N-[4-(5,8-dimethyl-5,8-diphenylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-(5,8-dimethyl-5,8-diphenylindeno[2,1-c]thioxanthen-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(5,8-dimethyl-5,8-diphenylfluoreno[4,3-b][1,4]benzothiasilin-1-yl)phenyl]-N,4-diphenylaniline;N-[4-(5,8-dimethyl-5,8-diphenylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-(5,8-dimethyl-5,8-diphenylindeno[2,1-c]thioxanthen-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(5,8-dimethyl-5,8-diphenylfluoreno[4,3-b][1,4]benzothiasilin-1-yl)phenyl]-N,4-diphenylaniline;N-[4-(5,8-dimethyl-5,8-diphenylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-(5,8-dimethyl-5,8-diphenylindeno[2,1-c]thioxanthen-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is CC1(c2ccccc2)c2cccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)c2Sc2c1ccc1c2-c2ccccc2C1(C)c1ccccc1.CC1(c2ccccc2)c2ccccc2-c2c1ccc1c2Oc2c(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cccc2[Si]1(C)c1ccccc1.CC1(c2ccccc2)c2ccccc2-c2c1ccc1c2Sc2c(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)cccc2[Si]1(C)c1ccccc1.
What is the InChIKey of N-[4-(5,8-dimethyl-5,8-diphenylfluoreno[4,3-b][1,4]benzothiasilin-1-yl)phenyl]-N,4-diphenylaniline;N-[4-(5,8-dimethyl-5,8-diphenylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-(5,8-dimethyl-5,8-diphenylindeno[2,1-c]thioxanthen-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is AJTPYILSHMBOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H47NS.C57H43NSSi.C55H41NOSi/c1-63(49-22-11-5-12-23-49)56-28-16-15-26-55(56)60-57(63)42-43-59-62(60)66-61-54(27-17-29-58(61)64(59,2)50-24-13-6-14-25-50)48-34-40-53(41-35-48)65(51-36-30-46(31-37-51)44-18-7-3-8-19-44)52-38-32-47(33-39-52)45-20-9-4-10-21-45;1-57(43-20-9-4-10-21-43)50-28-16-15-26-49(50)54-51(57)38-39-53-56(54)59-55-48(27-17-29-52(55)60(53,2)47-24-13-6-14-25-47)42-32-36-46(37-33-42)58(44-22-11-5-12-23-44)45-34-30-41(31-35-45)40-18-7-3-8-19-40;1-55(40-20-6-3-7-21-40)47-29-15-14-27-46(47)52-48(55)36-37-51-54(52)57-53-45(28-17-31-50(53)58(51,2)43-24-10-5-11-25-43)39-32-34-42(35-33-39)56(41-22-8-4-9-23-41)49-30-16-19-38-18-12-13-26-44(38)49/h3-43H,1-2H3;3-39H,1-2H3;3-37H,1-2H3.
What are the key properties of N-[4-(5,8-dimethyl-5,8-diphenylfluoreno[4,3-b][1,4]benzothiasilin-1-yl)phenyl]-N,4-diphenylaniline;N-[4-(5,8-dimethyl-5,8-diphenylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-(5,8-dimethyl-5,8-diphenylindeno[2,1-c]thioxanthen-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-(5,8-dimethyl-5,8-diphenylfluoreno[4,3-b][1,4]benzothiasilin-1-yl)phenyl]-N,4-diphenylaniline;N-[4-(5,8-dimethyl-5,8-diphenylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-(5,8-dimethyl-5,8-diphenylindeno[2,1-c]thioxanthen-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 2424.31 g/mol, XLogP of 43.22, 21 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5,8-dimethyl-5,8-diphenylfluoreno[4,3-b][1,4]benzothiasilin-1-yl)phenyl]-N,4-diphenylaniline;N-[4-(5,8-dimethyl-5,8-diphenylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-(5,8-dimethyl-5,8-diphenylindeno[2,1-c]thioxanthen-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 157137300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).