N-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-naphthalen-2-ylanthracen-2-amine;N-[4-(9,9-diphenylthioxanthen-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-[4-(9,9-diphenylxanthen-4-yl)phenyl]-3-methyl-N-(4-phenylphenyl)aniline

C165H115N3O2SSi — CID 160604734

IUPACN-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-naphthalen-2-ylanthracen-2-amine;N-[4-(9,9-diphenylthioxanthen-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-[4-(9,9-diphenylxanthen-4-yl)phenyl]-3-methyl-N-(4-phenylphenyl)aniline
SMILESCc1cccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3cccc4c3Oc3ccccc3C4(c3ccccc3)c3ccccc3)cc2)c1.c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4Sc4ccccc4C5(c4ccccc4)c4ccccc4)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3Oc3c(-c4ccc(N(c5ccc6ccccc6c5)c5ccc6cc7ccccc7cc6c5)cc4)cccc32)cc1
InChIInChI=1S/C61H41NS.C54H37NOSi.C50H37NO/c1-4-17-42(18-5-1)43-31-35-47(36-32-43)62(49-39-40-55-53-25-11-10-23-51(53)52-24-12-13-26-54(52)56(55)41-49)48-37-33-44(34-38-48)50-27-16-29-58-60(50)63-59-30-15-14-28-57(59)61(58,45-19-6-2-7-20-45)46-21-8-3-9-22-46;1-3-18-48(19-4-1)57(49-20-5-2-6-21-49)52-24-12-11-23-51(52)56-54-50(22-13-25-53(54)57)39-27-30-45(31-28-39)55(46-32-26-38-14-7-8-17-42(38)36-46)47-33-29-43-34-40-15-9-10-16-41(40)35-44(43)37-47;1-36-15-13-22-44(35-36)51(42-31-27-38(28-32-42)37-16-5-2-6-17-37)43-33-29-39(30-34-43)45-23-14-25-47-49(45)52-48-26-12-11-24-46(48)50(47,40-18-7-3-8-19-40)41-20-9-4-10-21-41/h1-41H;1-37H;2-35H,1H3
InChIKeyRESOOSMMTKNUSX-UHFFFAOYSA-N
MW2231.91 g/mol
LogP41.85
Rot. Bonds20

About N-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-naphthalen-2-ylanthracen-2-amine;N-[4-(9,9-diphenylthioxanthen-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-[4-(9,9-diphenylxanthen-4-yl)phenyl]-3-methyl-N-(4-phenylphenyl)aniline

N-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-naphthalen-2-ylanthracen-2-amine;N-[4-(9,9-diphenylthioxanthen-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-[4-(9,9-diphenylxanthen-4-yl)phenyl]-3-methyl-N-(4-phenylphenyl)aniline (PubChem CID 160604734) has the molecular formula C165H115N3O2SSi and a molecular weight of 2231.91 g/mol. Its IUPAC name is N-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-naphthalen-2-ylanthracen-2-amine;N-[4-(9,9-diphenylthioxanthen-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-[4-(9,9-diphenylxanthen-4-yl)phenyl]-3-methyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-naphthalen-2-ylanthracen-2-amine;N-[4-(9,9-diphenylthioxanthen-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-[4-(9,9-diphenylxanthen-4-yl)phenyl]-3-methyl-N-(4-phenylphenyl)aniline
PubChem CID160604734
Molecular FormulaC165H115N3O2SSi
Molecular Weight2231.91 g/mol
Exact Mass2229.85
IUPAC NameN-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-naphthalen-2-ylanthracen-2-amine;N-[4-(9,9-diphenylthioxanthen-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-[4-(9,9-diphenylxanthen-4-yl)phenyl]-3-methyl-N-(4-phenylphenyl)aniline
SMILESCc1cccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3cccc4c3Oc3ccccc3C4(c3ccccc3)c3ccccc3)cc2)c1.c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4Sc4ccccc4C5(c4ccccc4)c4ccccc4)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3Oc3c(-c4ccc(N(c5ccc6ccccc6c5)c5ccc6cc7ccccc7cc6c5)cc4)cccc32)cc1
InChIInChI=1S/C61H41NS.C54H37NOSi.C50H37NO/c1-4-17-42(18-5-1)43-31-35-47(36-32-43)62(49-39-40-55-53-25-11-10-23-51(53)52-24-12-13-26-54(52)56(55)41-49)48-37-33-44(34-38-48)50-27-16-29-58-60(50)63-59-30-15-14-28-57(59)61(58,45-19-6-2-7-20-45)46-21-8-3-9-22-46;1-3-18-48(19-4-1)57(49-20-5-2-6-21-49)52-24-12-11-23-51(52)56-54-50(22-13-25-53(54)57)39-27-30-45(31-28-39)55(46-32-26-38-14-7-8-17-42(38)36-46)47-33-29-43-34-40-15-9-10-16-41(40)35-44(43)37-47;1-36-15-13-22-44(35-36)51(42-31-27-38(28-32-42)37-16-5-2-6-17-37)43-33-29-39(30-34-43)45-23-14-25-47-49(45)52-48-26-12-11-24-46(48)50(47,40-18-7-3-8-19-40)41-20-9-4-10-21-41/h1-41H;1-37H;2-35H,1H3
InChIKeyRESOOSMMTKNUSX-UHFFFAOYSA-N
XLogP41.85
TPSA28.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms172
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002231.91
LogP ≤ 541.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-naphthalen-2-ylanthracen-2-amine;N-[4-(9,9-diphenylthioxanthen-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-[4-(9,9-diphenylxanthen-4-yl)phenyl]-3-methyl-N-(4-phenylphenyl)aniline with MolForge

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Related Compounds

N-[4-[5-[10-[6-(N,4-dinaphthalen-1-ylanilino)naphthalen-2-yl]-10-phenylbenzo[b][1,4]benzoxasilin-4-yl]naphthalen-1-yl]phenyl]-6-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 159980440
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
N-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 140872024
10,10-dimethyl-N,N-diphenylbenzo[b][1,4]benzothiasilin-4-amine;10,10-dimethyl-N,N-diphenylbenzo[b][1,4]benzoxasilin-4-amine;N,N,10,10-tetraphenylbenzo[b][1,4]benzoxasilin-4-amine;N,N,9,9-tetraphenylthioxanthen-4-amine;N,N,9,9-tetraphenylxanthen-4-amine
CID 161391999
N-[4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-2-yl)phenyl]-N,4-diphenylaniline;N-[4-(10,10-diphenylbenzo[b][1,4]benzothiasilin-2-yl)phenyl]-N,4-diphenylaniline;N-[4-(9,9-diphenylthioxanthen-2-yl)phenyl]-N,4-diphenylaniline;N-[4-(9,9-diphenylxanthen-2-yl)phenyl]-N,4-diphenylaniline
CID 159865014
2-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-4-(9,9-diphenylxanthen-4-yl)-6-phenyl-1,3,5-triazine
CID 155650366
4-(2,6-dimethylphenyl)-2-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-6-(9,9-diphenylxanthen-4-yl)pyridine
CID 155650594
N-(4-naphthalen-1-ylphenyl)-3-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)aniline
CID 140872030
5,5-diphenyl-N,N-bis(4-phenylphenyl)spiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2'-amine;N-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2'-yl)-N,7-diphenyldibenzofuran-3-amine;N-naphthalen-1-yl-5,5-diphenyl-N-(4-phenylphenyl)spiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2'-amine;N-phenanthren-2-yl-5,5-diphenyl-N-(4-phenylphenyl)spiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2'-amine
CID 160986972
N-[4-[8-(4-naphthalen-1-ylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166005616
N-[4-(12,12-dimethylspiro[benzo[a]anthracene-7,9'-thioxanthene]-4'-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158479969

Frequently Asked Questions

What is the IUPAC name of N-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-naphthalen-2-ylanthracen-2-amine;N-[4-(9,9-diphenylthioxanthen-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-[4-(9,9-diphenylxanthen-4-yl)phenyl]-3-methyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-naphthalen-2-ylanthracen-2-amine;N-[4-(9,9-diphenylthioxanthen-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-[4-(9,9-diphenylxanthen-4-yl)phenyl]-3-methyl-N-(4-phenylphenyl)aniline (CID 160604734) is N-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-naphthalen-2-ylanthracen-2-amine;N-[4-(9,9-diphenylthioxanthen-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-[4-(9,9-diphenylxanthen-4-yl)phenyl]-3-methyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-naphthalen-2-ylanthracen-2-amine;N-[4-(9,9-diphenylthioxanthen-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-[4-(9,9-diphenylxanthen-4-yl)phenyl]-3-methyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-naphthalen-2-ylanthracen-2-amine;N-[4-(9,9-diphenylthioxanthen-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-[4-(9,9-diphenylxanthen-4-yl)phenyl]-3-methyl-N-(4-phenylphenyl)aniline is Cc1cccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3cccc4c3Oc3ccccc3C4(c3ccccc3)c3ccccc3)cc2)c1.c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4Sc4ccccc4C5(c4ccccc4)c4ccccc4)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3Oc3c(-c4ccc(N(c5ccc6ccccc6c5)c5ccc6cc7ccccc7cc6c5)cc4)cccc32)cc1.
What is the InChIKey of N-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-naphthalen-2-ylanthracen-2-amine;N-[4-(9,9-diphenylthioxanthen-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-[4-(9,9-diphenylxanthen-4-yl)phenyl]-3-methyl-N-(4-phenylphenyl)aniline?
The InChIKey is RESOOSMMTKNUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41NS.C54H37NOSi.C50H37NO/c1-4-17-42(18-5-1)43-31-35-47(36-32-43)62(49-39-40-55-53-25-11-10-23-51(53)52-24-12-13-26-54(52)56(55)41-49)48-37-33-44(34-38-48)50-27-16-29-58-60(50)63-59-30-15-14-28-57(59)61(58,45-19-6-2-7-20-45)46-21-8-3-9-22-46;1-3-18-48(19-4-1)57(49-20-5-2-6-21-49)52-24-12-11-23-51(52)56-54-50(22-13-25-53(54)57)39-27-30-45(31-28-39)55(46-32-26-38-14-7-8-17-42(38)36-46)47-33-29-43-34-40-15-9-10-16-41(40)35-44(43)37-47;1-36-15-13-22-44(35-36)51(42-31-27-38(28-32-42)37-16-5-2-6-17-37)43-33-29-39(30-34-43)45-23-14-25-47-49(45)52-48-26-12-11-24-46(48)50(47,40-18-7-3-8-19-40)41-20-9-4-10-21-41/h1-41H;1-37H;2-35H,1H3.
What are the key properties of N-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-naphthalen-2-ylanthracen-2-amine;N-[4-(9,9-diphenylthioxanthen-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-[4-(9,9-diphenylxanthen-4-yl)phenyl]-3-methyl-N-(4-phenylphenyl)aniline?
N-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-naphthalen-2-ylanthracen-2-amine;N-[4-(9,9-diphenylthioxanthen-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-[4-(9,9-diphenylxanthen-4-yl)phenyl]-3-methyl-N-(4-phenylphenyl)aniline has a molecular weight of 2231.91 g/mol, XLogP of 41.85, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-naphthalen-2-ylanthracen-2-amine;N-[4-(9,9-diphenylthioxanthen-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-[4-(9,9-diphenylxanthen-4-yl)phenyl]-3-methyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 160604734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).