N-dibenzo-p-dioxin-1-yl-10,10-dimethyl-N-[4-(3-phenylphenyl)phenyl]benzo[b][1,4]benzoxasilin-4-amine;N-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-N-(9,9-dimethylxanthen-4-yl)-10-phenylphenoxazin-3-amine;N-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-N-(2,3-diphenyl-1-benzofuran-5-yl)phenoxathiin-1-amine;10,10-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-thianthren-1-ylbenzo[b][1,4]benzoxasilin-4-amine

C181H137N5O10S3Si4 — CID 159372000

IUPACN-dibenzo-p-dioxin-1-yl-10,10-dimethyl-N-[4-(3-phenylphenyl)phenyl]benzo[b][1,4]benzoxasilin-4-amine;N-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-N-(9,9-dimethylxanthen-4-yl)-10-phenylphenoxazin-3-amine;N-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-N-(2,3-diphenyl-1-benzofuran-5-yl)phenoxathiin-1-amine;10,10-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-thianthren-1-ylbenzo[b][1,4]benzoxasilin-4-amine
SMILESCC1(C)c2ccccc2Oc2c(N(c3ccc4c(c3)Oc3ccccc3N4c3ccccc3)c3cccc4c3Oc3ccccc3[Si]4(C)C)cccc21.C[Si]1(C)c2ccccc2Oc2c(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3cccc4c3Sc3ccccc3S4)cccc21.C[Si]1(C)c2ccccc2Oc2c(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3cccc4c3Oc3ccccc3O4)cccc21.C[Si]1(C)c2ccccc2Oc2c(N(c3ccc4oc(-c5ccccc5)c(-c5ccccc5)c4c3)c3cccc4c3Sc3ccccc3O4)cccc21
InChIInChI=1S/C47H38N2O3Si.C46H33NO3SSi.C44H33NO3Si.C44H33NOS2Si/c1-47(2)33-18-8-10-23-39(33)51-45-34(47)19-14-21-37(45)49(38-22-15-27-44-46(38)52-41-25-12-13-26-43(41)53(44,3)4)32-28-29-36-42(30-32)50-40-24-11-9-20-35(40)48(36)31-16-6-5-7-17-31;1-52(2)41-25-12-10-22-38(41)50-45-34(19-14-26-42(45)52)47(35-20-13-23-39-46(35)51-40-24-11-9-21-37(40)48-39)32-27-28-36-33(29-32)43(30-15-5-3-6-16-30)44(49-36)31-17-7-4-8-18-31;1-49(2)41-23-9-8-21-39(41)48-44-36(18-12-24-42(44)49)45(35-17-11-22-40-43(35)47-38-20-7-6-19-37(38)46-40)34-27-25-31(26-28-34)33-16-10-15-32(29-33)30-13-4-3-5-14-30;1-49(2)41-20-9-6-16-37(41)46-43-35(14-11-21-42(43)49)45(36-15-10-19-40-44(36)48-39-18-8-7-17-38(39)47-40)34-28-26-33(27-29-34)32-24-22-31(23-25-32)30-12-4-3-5-13-30/h5-30H,1-4H3;3-29H,1-2H3;2*3-29H,1-2H3
InChIKeyLJWANFUXZNZLLQ-UHFFFAOYSA-N
MW2750.66 g/mol
LogP47.86
Rot. Bonds19

About N-dibenzo-p-dioxin-1-yl-10,10-dimethyl-N-[4-(3-phenylphenyl)phenyl]benzo[b][1,4]benzoxasilin-4-amine;N-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-N-(9,9-dimethylxanthen-4-yl)-10-phenylphenoxazin-3-amine;N-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-N-(2,3-diphenyl-1-benzofuran-5-yl)phenoxathiin-1-amine;10,10-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-thianthren-1-ylbenzo[b][1,4]benzoxasilin-4-amine

N-dibenzo-p-dioxin-1-yl-10,10-dimethyl-N-[4-(3-phenylphenyl)phenyl]benzo[b][1,4]benzoxasilin-4-amine;N-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-N-(9,9-dimethylxanthen-4-yl)-10-phenylphenoxazin-3-amine;N-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-N-(2,3-diphenyl-1-benzofuran-5-yl)phenoxathiin-1-amine;10,10-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-thianthren-1-ylbenzo[b][1,4]benzoxasilin-4-amine (PubChem CID 159372000) has the molecular formula C181H137N5O10S3Si4 and a molecular weight of 2750.66 g/mol. Its IUPAC name is N-dibenzo-p-dioxin-1-yl-10,10-dimethyl-N-[4-(3-phenylphenyl)phenyl]benzo[b][1,4]benzoxasilin-4-amine;N-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-N-(9,9-dimethylxanthen-4-yl)-10-phenylphenoxazin-3-amine;N-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-N-(2,3-diphenyl-1-benzofuran-5-yl)phenoxathiin-1-amine;10,10-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-thianthren-1-ylbenzo[b][1,4]benzoxasilin-4-amine.

Molecular Properties

Compound NameN-dibenzo-p-dioxin-1-yl-10,10-dimethyl-N-[4-(3-phenylphenyl)phenyl]benzo[b][1,4]benzoxasilin-4-amine;N-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-N-(9,9-dimethylxanthen-4-yl)-10-phenylphenoxazin-3-amine;N-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-N-(2,3-diphenyl-1-benzofuran-5-yl)phenoxathiin-1-amine;10,10-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-thianthren-1-ylbenzo[b][1,4]benzoxasilin-4-amine
PubChem CID159372000
Molecular FormulaC181H137N5O10S3Si4
Molecular Weight2750.66 g/mol
Exact Mass2747.86
IUPAC NameN-dibenzo-p-dioxin-1-yl-10,10-dimethyl-N-[4-(3-phenylphenyl)phenyl]benzo[b][1,4]benzoxasilin-4-amine;N-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-N-(9,9-dimethylxanthen-4-yl)-10-phenylphenoxazin-3-amine;N-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-N-(2,3-diphenyl-1-benzofuran-5-yl)phenoxathiin-1-amine;10,10-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-thianthren-1-ylbenzo[b][1,4]benzoxasilin-4-amine
SMILESCC1(C)c2ccccc2Oc2c(N(c3ccc4c(c3)Oc3ccccc3N4c3ccccc3)c3cccc4c3Oc3ccccc3[Si]4(C)C)cccc21.C[Si]1(C)c2ccccc2Oc2c(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3cccc4c3Sc3ccccc3S4)cccc21.C[Si]1(C)c2ccccc2Oc2c(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3cccc4c3Oc3ccccc3O4)cccc21.C[Si]1(C)c2ccccc2Oc2c(N(c3ccc4oc(-c5ccccc5)c(-c5ccccc5)c4c3)c3cccc4c3Sc3ccccc3O4)cccc21
InChIInChI=1S/C47H38N2O3Si.C46H33NO3SSi.C44H33NO3Si.C44H33NOS2Si/c1-47(2)33-18-8-10-23-39(33)51-45-34(47)19-14-21-37(45)49(38-22-15-27-44-46(38)52-41-25-12-13-26-43(41)53(44,3)4)32-28-29-36-42(30-32)50-40-24-11-9-20-35(40)48(36)31-16-6-5-7-17-31;1-52(2)41-25-12-10-22-38(41)50-45-34(19-14-26-42(45)52)47(35-20-13-23-39-46(35)51-40-24-11-9-21-37(40)48-39)32-27-28-36-33(29-32)43(30-15-5-3-6-16-30)44(49-36)31-17-7-4-8-18-31;1-49(2)41-23-9-8-21-39(41)48-44-36(18-12-24-42(44)49)45(35-17-11-22-40-43(35)47-38-20-7-6-19-37(38)46-40)34-27-25-31(26-28-34)33-16-10-15-32(29-33)30-13-4-3-5-14-30;1-49(2)41-20-9-6-16-37(41)46-43-35(14-11-21-42(43)49)45(36-15-10-19-40-44(36)48-39-18-8-7-17-38(39)47-40)34-28-26-33(27-29-34)32-24-22-31(23-25-32)30-12-4-3-5-13-30/h5-30H,1-4H3;3-29H,1-2H3;2*3-29H,1-2H3
InChIKeyLJWANFUXZNZLLQ-UHFFFAOYSA-N
XLogP47.86
TPSA112.41 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds19
Heavy Atoms203
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002750.66
LogP ≤ 547.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze N-dibenzo-p-dioxin-1-yl-10,10-dimethyl-N-[4-(3-phenylphenyl)phenyl]benzo[b][1,4]benzoxasilin-4-amine;N-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-N-(9,9-dimethylxanthen-4-yl)-10-phenylphenoxazin-3-amine;N-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-N-(2,3-diphenyl-1-benzofuran-5-yl)phenoxathiin-1-amine;10,10-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-thianthren-1-ylbenzo[b][1,4]benzoxasilin-4-amine with MolForge

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Related Compounds

N-[4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-10-phenylphenoxazin-3-amine
CID 123731456
N-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-N-(9,9-dimethylxanthen-4-yl)phenoxathiin-1-amine
CID 123542124
N-(9,9-dimethylxanthen-4-yl)-N-(4-phenylphenyl)phenoxathiin-4-amine
CID 118133993
N-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)-9,9-dimethyl-N-thianthren-1-ylxanthen-4-amine
CID 123364850
N-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)-10,10-dimethyl-N-(4-phenoxathiin-4-ylphenyl)benzo[b][1,4]benzoxasilin-4-amine
CID 123880201
4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-N-[4-(9,9-dimethylthioxanthen-4-yl)phenyl]-N-(4-phenoxathiin-1-ylphenyl)aniline
CID 123864613
4-dibenzo-p-dioxin-1-yl-N,N-bis[4-(9,9-dimethylthioxanthen-4-yl)phenyl]aniline;4-(9,9-dimethylthioxanthen-4-yl)-N-[4-(9,9-dimethylthioxanthen-4-yl)phenyl]-N-(4-thianthren-1-ylphenyl)aniline;4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-(4-phenoxathiin-1-ylphenyl)aniline
CID 159730276
N-[4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-(4-phenoxathiin-1-ylphenyl)-4-phenylaniline
CID 123521859
9-[4-(5',5'-diphenylspiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2-yl)phenyl]carbazole;10-[4-(5',5'-diphenylspiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2-yl)phenyl]-9,9-dimethylacridine;10-[4-(5',5'-diphenylspiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2-yl)phenyl]phenothiazine;10-[4-(5',5'-diphenylspiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2-yl)phenyl]phenoxazine;N-naphthalen-1-yl-5',5'-diphenyl-N-(4-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-3-amine
CID 158429317
N,N-bis[4-[4-(4-phenothiazin-10-ylphenyl)phenyl]phenyl]-4-phenylaniline;9,9-dimethyl-N,N-bis[4-[4-(4-phenoxazin-10-ylphenyl)phenyl]phenyl]fluoren-2-amine
CID 162159610
N-[4-[3-[3-(9',10-diphenylspiro[acridine-9,10'-anthracene]-9'-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[xanthene]-4-amine
CID 139299201
5,5-dimethyl-8,8-diphenyl-1-(4-thianthren-1-ylphenyl)indeno[2,1-c]thioxanthene;3-[4-(8,8-dimethylindeno[1,2-a]phenoxathiin-1-yl)phenyl]-10-phenylphenoxazine;1-[3-(9,9-dimethylthioxanthen-4-yl)phenyl]-8,8-dimethylindeno[1,2-a]thianthrene;1-[3-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-8,8-dimethylindeno[2,1-c]phenoxathiine
CID 157244614

Frequently Asked Questions

What is the IUPAC name of N-dibenzo-p-dioxin-1-yl-10,10-dimethyl-N-[4-(3-phenylphenyl)phenyl]benzo[b][1,4]benzoxasilin-4-amine;N-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-N-(9,9-dimethylxanthen-4-yl)-10-phenylphenoxazin-3-amine;N-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-N-(2,3-diphenyl-1-benzofuran-5-yl)phenoxathiin-1-amine;10,10-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-thianthren-1-ylbenzo[b][1,4]benzoxasilin-4-amine?
The IUPAC name of N-dibenzo-p-dioxin-1-yl-10,10-dimethyl-N-[4-(3-phenylphenyl)phenyl]benzo[b][1,4]benzoxasilin-4-amine;N-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-N-(9,9-dimethylxanthen-4-yl)-10-phenylphenoxazin-3-amine;N-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-N-(2,3-diphenyl-1-benzofuran-5-yl)phenoxathiin-1-amine;10,10-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-thianthren-1-ylbenzo[b][1,4]benzoxasilin-4-amine (CID 159372000) is N-dibenzo-p-dioxin-1-yl-10,10-dimethyl-N-[4-(3-phenylphenyl)phenyl]benzo[b][1,4]benzoxasilin-4-amine;N-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-N-(9,9-dimethylxanthen-4-yl)-10-phenylphenoxazin-3-amine;N-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-N-(2,3-diphenyl-1-benzofuran-5-yl)phenoxathiin-1-amine;10,10-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-thianthren-1-ylbenzo[b][1,4]benzoxasilin-4-amine.
What is the SMILES notation for N-dibenzo-p-dioxin-1-yl-10,10-dimethyl-N-[4-(3-phenylphenyl)phenyl]benzo[b][1,4]benzoxasilin-4-amine;N-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-N-(9,9-dimethylxanthen-4-yl)-10-phenylphenoxazin-3-amine;N-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-N-(2,3-diphenyl-1-benzofuran-5-yl)phenoxathiin-1-amine;10,10-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-thianthren-1-ylbenzo[b][1,4]benzoxasilin-4-amine?
The canonical SMILES for N-dibenzo-p-dioxin-1-yl-10,10-dimethyl-N-[4-(3-phenylphenyl)phenyl]benzo[b][1,4]benzoxasilin-4-amine;N-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-N-(9,9-dimethylxanthen-4-yl)-10-phenylphenoxazin-3-amine;N-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-N-(2,3-diphenyl-1-benzofuran-5-yl)phenoxathiin-1-amine;10,10-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-thianthren-1-ylbenzo[b][1,4]benzoxasilin-4-amine is CC1(C)c2ccccc2Oc2c(N(c3ccc4c(c3)Oc3ccccc3N4c3ccccc3)c3cccc4c3Oc3ccccc3[Si]4(C)C)cccc21.C[Si]1(C)c2ccccc2Oc2c(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3cccc4c3Sc3ccccc3S4)cccc21.C[Si]1(C)c2ccccc2Oc2c(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3cccc4c3Oc3ccccc3O4)cccc21.C[Si]1(C)c2ccccc2Oc2c(N(c3ccc4oc(-c5ccccc5)c(-c5ccccc5)c4c3)c3cccc4c3Sc3ccccc3O4)cccc21.
What is the InChIKey of N-dibenzo-p-dioxin-1-yl-10,10-dimethyl-N-[4-(3-phenylphenyl)phenyl]benzo[b][1,4]benzoxasilin-4-amine;N-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-N-(9,9-dimethylxanthen-4-yl)-10-phenylphenoxazin-3-amine;N-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-N-(2,3-diphenyl-1-benzofuran-5-yl)phenoxathiin-1-amine;10,10-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-thianthren-1-ylbenzo[b][1,4]benzoxasilin-4-amine?
The InChIKey is LJWANFUXZNZLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H38N2O3Si.C46H33NO3SSi.C44H33NO3Si.C44H33NOS2Si/c1-47(2)33-18-8-10-23-39(33)51-45-34(47)19-14-21-37(45)49(38-22-15-27-44-46(38)52-41-25-12-13-26-43(41)53(44,3)4)32-28-29-36-42(30-32)50-40-24-11-9-20-35(40)48(36)31-16-6-5-7-17-31;1-52(2)41-25-12-10-22-38(41)50-45-34(19-14-26-42(45)52)47(35-20-13-23-39-46(35)51-40-24-11-9-21-37(40)48-39)32-27-28-36-33(29-32)43(30-15-5-3-6-16-30)44(49-36)31-17-7-4-8-18-31;1-49(2)41-23-9-8-21-39(41)48-44-36(18-12-24-42(44)49)45(35-17-11-22-40-43(35)47-38-20-7-6-19-37(38)46-40)34-27-25-31(26-28-34)33-16-10-15-32(29-33)30-13-4-3-5-14-30;1-49(2)41-20-9-6-16-37(41)46-43-35(14-11-21-42(43)49)45(36-15-10-19-40-44(36)48-39-18-8-7-17-38(39)47-40)34-28-26-33(27-29-34)32-24-22-31(23-25-32)30-12-4-3-5-13-30/h5-30H,1-4H3;3-29H,1-2H3;2*3-29H,1-2H3.
What are the key properties of N-dibenzo-p-dioxin-1-yl-10,10-dimethyl-N-[4-(3-phenylphenyl)phenyl]benzo[b][1,4]benzoxasilin-4-amine;N-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-N-(9,9-dimethylxanthen-4-yl)-10-phenylphenoxazin-3-amine;N-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-N-(2,3-diphenyl-1-benzofuran-5-yl)phenoxathiin-1-amine;10,10-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-thianthren-1-ylbenzo[b][1,4]benzoxasilin-4-amine?
N-dibenzo-p-dioxin-1-yl-10,10-dimethyl-N-[4-(3-phenylphenyl)phenyl]benzo[b][1,4]benzoxasilin-4-amine;N-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-N-(9,9-dimethylxanthen-4-yl)-10-phenylphenoxazin-3-amine;N-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-N-(2,3-diphenyl-1-benzofuran-5-yl)phenoxathiin-1-amine;10,10-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-thianthren-1-ylbenzo[b][1,4]benzoxasilin-4-amine has a molecular weight of 2750.66 g/mol, XLogP of 47.86, 19 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzo-p-dioxin-1-yl-10,10-dimethyl-N-[4-(3-phenylphenyl)phenyl]benzo[b][1,4]benzoxasilin-4-amine;N-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-N-(9,9-dimethylxanthen-4-yl)-10-phenylphenoxazin-3-amine;N-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-N-(2,3-diphenyl-1-benzofuran-5-yl)phenoxathiin-1-amine;10,10-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-thianthren-1-ylbenzo[b][1,4]benzoxasilin-4-amine is sourced from PubChem (CID 159372000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).