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

C184H136N4O2S2Si2 — CID 159865014

IUPACN-[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
SMILESC[Si]1(C)c2ccccc2Oc2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)cc21.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4O5)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4S5)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)[Si](c4ccccc4)(c4ccccc4)c4ccccc4S5)cc3)cc2)cc1
InChIInChI=1S/C49H35NO.C49H35NS.C48H35NSSi.C38H31NOSi/c2*1-5-15-36(16-6-1)37-25-30-43(31-26-37)50(42-21-11-4-12-22-42)44-32-27-38(28-33-44)39-29-34-48-46(35-39)49(40-17-7-2-8-18-40,41-19-9-3-10-20-41)45-23-13-14-24-47(45)51-48;1-5-15-36(16-6-1)37-25-30-41(31-26-37)49(40-17-7-2-8-18-40)42-32-27-38(28-33-42)39-29-34-46-48(35-39)51(43-19-9-3-10-20-43,44-21-11-4-12-22-44)47-24-14-13-23-45(47)50-46;1-41(2)37-16-10-9-15-35(37)40-36-26-21-31(27-38(36)41)30-19-24-34(25-20-30)39(32-13-7-4-8-14-32)33-22-17-29(18-23-33)28-11-5-3-6-12-28/h3*1-35H;3-27H,1-2H3
InChIKeyNRPVKHJZAIURSS-UHFFFAOYSA-N
MW2555.44 g/mol
LogP46.07
Rot. Bonds26

About 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

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 (PubChem CID 159865014) has the molecular formula C184H136N4O2S2Si2 and a molecular weight of 2555.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID159865014
Molecular FormulaC184H136N4O2S2Si2
Molecular Weight2555.44 g/mol
Exact Mass2552.96
IUPAC NameN-[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
SMILESC[Si]1(C)c2ccccc2Oc2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)cc21.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4O5)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4S5)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)[Si](c4ccccc4)(c4ccccc4)c4ccccc4S5)cc3)cc2)cc1
InChIInChI=1S/C49H35NO.C49H35NS.C48H35NSSi.C38H31NOSi/c2*1-5-15-36(16-6-1)37-25-30-43(31-26-37)50(42-21-11-4-12-22-42)44-32-27-38(28-33-44)39-29-34-48-46(35-39)49(40-17-7-2-8-18-40,41-19-9-3-10-20-41)45-23-13-14-24-47(45)51-48;1-5-15-36(16-6-1)37-25-30-41(31-26-37)49(40-17-7-2-8-18-40)42-32-27-38(28-33-42)39-29-34-46-48(35-39)51(43-19-9-3-10-20-43,44-21-11-4-12-22-44)47-24-14-13-23-45(47)50-46;1-41(2)37-16-10-9-15-35(37)40-36-26-21-31(27-38(36)41)30-19-24-34(25-20-30)39(32-13-7-4-8-14-32)33-22-17-29(18-23-33)28-11-5-3-6-12-28/h3*1-35H;3-27H,1-2H3
InChIKeyNRPVKHJZAIURSS-UHFFFAOYSA-N
XLogP46.07
TPSA31.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds26
Heavy Atoms194
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002555.44
LogP ≤ 546.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

N-[4-(10,10-dimethylbenzo[b][1,4]benzothiasilin-2-yl)phenyl]-N,4-diphenylaniline
CID 123177063
N-[4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-2-yl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 123808366
N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine
CID 164707025
N,5,5-triphenyl-N-(4-phenylphenyl)spiro[benzo[b][1]benzosiline-10,9'-xanthene]-2-amine
CID 147646246
N-phenyl-N-(4-phenylphenyl)spiro[benzo[b][1,4]benzothiasiline-10,10'-benzo[b][1,4]benzoxasiline]-2'-amine
CID 149114646
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-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138477229
N,7'-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-amine
CID 166679420
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
N-[4-(9,9-diphenylxanthen-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 118134260
N-(9,9-diphenylfluoren-2-yl)-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine
CID 152880962
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 167176947

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[Si]1(C)c2ccccc2Oc2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)cc21.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4O5)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4S5)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)[Si](c4ccccc4)(c4ccccc4)c4ccccc4S5)cc3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is NRPVKHJZAIURSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35NO.C49H35NS.C48H35NSSi.C38H31NOSi/c2*1-5-15-36(16-6-1)37-25-30-43(31-26-37)50(42-21-11-4-12-22-42)44-32-27-38(28-33-44)39-29-34-48-46(35-39)49(40-17-7-2-8-18-40,41-19-9-3-10-20-41)45-23-13-14-24-47(45)51-48;1-5-15-36(16-6-1)37-25-30-41(31-26-37)49(40-17-7-2-8-18-40)42-32-27-38(28-33-42)39-29-34-46-48(35-39)51(43-19-9-3-10-20-43,44-21-11-4-12-22-44)47-24-14-13-23-45(47)50-46;1-41(2)37-16-10-9-15-35(37)40-36-26-21-31(27-38(36)41)30-19-24-34(25-20-30)39(32-13-7-4-8-14-32)33-22-17-29(18-23-33)28-11-5-3-6-12-28/h3*1-35H;3-27H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 2555.44 g/mol, XLogP of 46.07, 26 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159865014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).