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

C162H127N5O3S2Si3 — CID 161391999

IUPAC10,10-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
SMILESC[Si]1(C)c2ccccc2Oc2c(N(c3ccccc3)c3ccccc3)cccc21.C[Si]1(C)c2ccccc2Sc2c(N(c3ccccc3)c3ccccc3)cccc21.c1ccc(N(c2ccccc2)c2cccc3c2Oc2ccccc2C3(c2ccccc2)c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2cccc3c2Oc2ccccc2[Si]3(c2ccccc2)c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2cccc3c2Sc2ccccc2C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C37H27NO.C37H27NS.C36H27NOSi.C26H23NOSi.C26H23NSSi/c2*1-5-16-28(17-6-1)37(29-18-7-2-8-19-29)32-24-13-14-27-35(32)39-36-33(37)25-15-26-34(36)38(30-20-9-3-10-21-30)31-22-11-4-12-23-31;1-5-16-28(17-6-1)37(29-18-7-2-8-19-29)32-24-15-27-35-36(32)38-33-25-13-14-26-34(33)39(35,30-20-9-3-10-21-30)31-22-11-4-12-23-31;2*1-29(2)24-18-10-9-17-23(24)28-26-22(16-11-19-25(26)29)27(20-12-5-3-6-13-20)21-14-7-4-8-15-21/h3*1-27H;2*3-19H,1-2H3
InChIKeyVTCLDPUUWWZSQA-UHFFFAOYSA-N
MW2340.22 g/mol
LogP38.82
Rot. Bonds21

About 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

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 (PubChem CID 161391999) has the molecular formula C162H127N5O3S2Si3 and a molecular weight of 2340.22 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10,10-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
PubChem CID161391999
Molecular FormulaC162H127N5O3S2Si3
Molecular Weight2340.22 g/mol
Exact Mass2337.87
IUPAC Name10,10-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
SMILESC[Si]1(C)c2ccccc2Oc2c(N(c3ccccc3)c3ccccc3)cccc21.C[Si]1(C)c2ccccc2Sc2c(N(c3ccccc3)c3ccccc3)cccc21.c1ccc(N(c2ccccc2)c2cccc3c2Oc2ccccc2C3(c2ccccc2)c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2cccc3c2Oc2ccccc2[Si]3(c2ccccc2)c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2cccc3c2Sc2ccccc2C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C37H27NO.C37H27NS.C36H27NOSi.C26H23NOSi.C26H23NSSi/c2*1-5-16-28(17-6-1)37(29-18-7-2-8-19-29)32-24-13-14-27-35(32)39-36-33(37)25-15-26-34(36)38(30-20-9-3-10-21-30)31-22-11-4-12-23-31;1-5-16-28(17-6-1)37(29-18-7-2-8-19-29)32-24-15-27-35-36(32)38-33-25-13-14-26-34(33)39(35,30-20-9-3-10-21-30)31-22-11-4-12-23-31;2*1-29(2)24-18-10-9-17-23(24)28-26-22(16-11-19-25(26)29)27(20-12-5-3-6-13-20)21-14-7-4-8-15-21/h3*1-27H;2*3-19H,1-2H3
InChIKeyVTCLDPUUWWZSQA-UHFFFAOYSA-N
XLogP38.82
TPSA43.89 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms175
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002340.22
LogP ≤ 538.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

N-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-N-(9,9-dimethylxanthen-4-yl)phenoxathiin-1-amine
CID 123542124
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
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
N-(9,9-dimethylthioxanthen-4-yl)-10,10-dimethyl-N-thianthren-1-ylbenzo[b][1,4]benzothiasilin-4-amine
CID 123390215
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
5',5'-diphenyl-N,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-4-amine
CID 148942158
N-naphthalen-1-yl-N,9,9-triphenylxanthen-4-amine
CID 118134128
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-(2,6-dimethylphenyl)-2-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-6-(9,9-diphenylxanthen-4-yl)pyridine
CID 155650594
2-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-4-(9,9-diphenylxanthen-4-yl)-6-phenyl-1,3,5-triazine
CID 155650366
N-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)-N-phenoxathiin-1-ylpyrimidin-5-amine
CID 123943213

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[Si]1(C)c2ccccc2Oc2c(N(c3ccccc3)c3ccccc3)cccc21.C[Si]1(C)c2ccccc2Sc2c(N(c3ccccc3)c3ccccc3)cccc21.c1ccc(N(c2ccccc2)c2cccc3c2Oc2ccccc2C3(c2ccccc2)c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2cccc3c2Oc2ccccc2[Si]3(c2ccccc2)c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2cccc3c2Sc2ccccc2C3(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 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?
The InChIKey is VTCLDPUUWWZSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27NO.C37H27NS.C36H27NOSi.C26H23NOSi.C26H23NSSi/c2*1-5-16-28(17-6-1)37(29-18-7-2-8-19-29)32-24-13-14-27-35(32)39-36-33(37)25-15-26-34(36)38(30-20-9-3-10-21-30)31-22-11-4-12-23-31;1-5-16-28(17-6-1)37(29-18-7-2-8-19-29)32-24-15-27-35-36(32)38-33-25-13-14-26-34(33)39(35,30-20-9-3-10-21-30)31-22-11-4-12-23-31;2*1-29(2)24-18-10-9-17-23(24)28-26-22(16-11-19-25(26)29)27(20-12-5-3-6-13-20)21-14-7-4-8-15-21/h3*1-27H;2*3-19H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 2340.22 g/mol, XLogP of 38.82, 21 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161391999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).