N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine;N,N-di(dibenzofuran-3-yl)-5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine;N-(9,9-diphenylfluoren-4-yl)-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine

C194H129N3O5SSi3 — CID 161242079

IUPACN-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine;N,N-di(dibenzofuran-3-yl)-5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine;N-(9,9-diphenylfluoren-4-yl)-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine
SMILESc1ccc(N(c2ccc3c(c2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2C32c3ccccc3Oc3ccccc32)c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3C3(c4ccccc4Oc4ccccc43)c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc5c4sc4ccccc45)cc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3C3(c4ccccc4Oc4ccccc43)c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5c(c4)oc4ccccc45)cc32)cc1
InChIInChI=1S/C68H47NOSi.C65H43NOSSi.C61H39NO3Si/c1-6-25-48(26-7-1)67(49-27-8-2-9-28-49)55-36-17-16-35-54(55)66-60(67)40-24-41-61(66)69(50-29-10-3-11-30-50)51-45-46-59-65(47-51)71(52-31-12-4-13-32-52,53-33-14-5-15-34-53)64-44-23-20-39-58(64)68(59)56-37-18-21-42-62(56)70-63-43-22-19-38-57(63)68;1-3-21-48(22-4-1)69(49-23-5-2-6-24-49)62-36-16-12-31-56(62)65(54-29-10-13-33-59(54)67-60-34-14-11-30-55(60)65)57-42-41-47(43-63(57)69)66(58-32-18-28-53-52-26-9-15-35-61(52)68-64(53)58)46-39-37-45(38-40-46)51-27-17-20-44-19-7-8-25-50(44)51;1-3-17-43(18-4-1)66(44-19-5-2-6-20-44)59-30-16-11-25-51(59)61(49-23-9-14-28-55(49)65-56-29-15-10-24-50(56)61)52-36-33-42(39-60(52)66)62(40-31-34-47-45-21-7-12-26-53(45)63-57(47)37-40)41-32-35-48-46-22-8-13-27-54(46)64-58(48)38-41/h1-47H;1-43H;1-39H
InChIKeyVADJRJNPZLAIFH-UHFFFAOYSA-N
MW2698.51 g/mol
LogP41.36
Rot. Bonds18

About N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine;N,N-di(dibenzofuran-3-yl)-5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine;N-(9,9-diphenylfluoren-4-yl)-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine

N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine;N,N-di(dibenzofuran-3-yl)-5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine;N-(9,9-diphenylfluoren-4-yl)-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine (PubChem CID 161242079) has the molecular formula C194H129N3O5SSi3 and a molecular weight of 2698.51 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine;N,N-di(dibenzofuran-3-yl)-5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine;N-(9,9-diphenylfluoren-4-yl)-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine;N,N-di(dibenzofuran-3-yl)-5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine;N-(9,9-diphenylfluoren-4-yl)-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine
PubChem CID161242079
Molecular FormulaC194H129N3O5SSi3
Molecular Weight2698.51 g/mol
Exact Mass2695.90
IUPAC NameN-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine;N,N-di(dibenzofuran-3-yl)-5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine;N-(9,9-diphenylfluoren-4-yl)-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine
SMILESc1ccc(N(c2ccc3c(c2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2C32c3ccccc3Oc3ccccc32)c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3C3(c4ccccc4Oc4ccccc43)c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc5c4sc4ccccc45)cc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3C3(c4ccccc4Oc4ccccc43)c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5c(c4)oc4ccccc45)cc32)cc1
InChIInChI=1S/C68H47NOSi.C65H43NOSSi.C61H39NO3Si/c1-6-25-48(26-7-1)67(49-27-8-2-9-28-49)55-36-17-16-35-54(55)66-60(67)40-24-41-61(66)69(50-29-10-3-11-30-50)51-45-46-59-65(47-51)71(52-31-12-4-13-32-52,53-33-14-5-15-34-53)64-44-23-20-39-58(64)68(59)56-37-18-21-42-62(56)70-63-43-22-19-38-57(63)68;1-3-21-48(22-4-1)69(49-23-5-2-6-24-49)62-36-16-12-31-56(62)65(54-29-10-13-33-59(54)67-60-34-14-11-30-55(60)65)57-42-41-47(43-63(57)69)66(58-32-18-28-53-52-26-9-15-35-61(52)68-64(53)58)46-39-37-45(38-40-46)51-27-17-20-44-19-7-8-25-50(44)51;1-3-17-43(18-4-1)66(44-19-5-2-6-20-44)59-30-16-11-25-51(59)61(49-23-9-14-28-55(49)65-56-29-15-10-24-50(56)61)52-36-33-42(39-60(52)66)62(40-31-34-47-45-21-7-12-26-53(45)63-57(47)37-40)41-32-35-48-46-22-8-13-27-54(46)64-58(48)38-41/h1-47H;1-43H;1-39H
InChIKeyVADJRJNPZLAIFH-UHFFFAOYSA-N
XLogP41.36
TPSA63.69 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms206
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002698.51
LogP ≤ 541.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine;N,N-di(dibenzofuran-3-yl)-5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine;N-(9,9-diphenylfluoren-4-yl)-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 152801513
N-dibenzofuran-1-yl-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-2-amine;N-dibenzofuran-3-yl-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-2-amine;N-dibenzothiophen-2-yl-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-2-amine;N-dibenzothiophen-4-yl-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-2-amine
CID 158456992
N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424235
N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine
CID 121424368
N-(4-dibenzofuran-1-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-2-amine;N-dibenzothiophen-2-yl-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine;N-dibenzothiophen-4-yl-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine
CID 159716995
N-(4-naphthalen-1-ylphenyl)-N-[4-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]dibenzofuran-3-amine;N-[4-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[4-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-phenyl-N-[4-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]dibenzothiophen-3-amine
CID 161396501
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine
CID 121424347
7-N-dibenzofuran-3-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N-(4-naphthalen-1-ylphenyl)-2-N-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-4-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 167608369
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-3-yl)dibenzothiophen-4-amine
CID 121424914
N-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine
CID 172544666
N-dibenzofuran-3-yl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-3-amine;N-phenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-4-amine;N-phenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-4-amine
CID 159394304
8-(11-phenylbenzo[b]fluoren-11-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;8-(7-phenylbenzo[c]fluoren-7-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-4-amine
CID 163609854

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine;N,N-di(dibenzofuran-3-yl)-5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine;N-(9,9-diphenylfluoren-4-yl)-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine?
The IUPAC name of N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine;N,N-di(dibenzofuran-3-yl)-5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine;N-(9,9-diphenylfluoren-4-yl)-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine (CID 161242079) is N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine;N,N-di(dibenzofuran-3-yl)-5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine;N-(9,9-diphenylfluoren-4-yl)-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine;N,N-di(dibenzofuran-3-yl)-5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine;N-(9,9-diphenylfluoren-4-yl)-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine;N,N-di(dibenzofuran-3-yl)-5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine;N-(9,9-diphenylfluoren-4-yl)-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine is c1ccc(N(c2ccc3c(c2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2C32c3ccccc3Oc3ccccc32)c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3C3(c4ccccc4Oc4ccccc43)c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc5c4sc4ccccc45)cc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3C3(c4ccccc4Oc4ccccc43)c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5c(c4)oc4ccccc45)cc32)cc1.
What is the InChIKey of N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine;N,N-di(dibenzofuran-3-yl)-5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine;N-(9,9-diphenylfluoren-4-yl)-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine?
The InChIKey is VADJRJNPZLAIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H47NOSi.C65H43NOSSi.C61H39NO3Si/c1-6-25-48(26-7-1)67(49-27-8-2-9-28-49)55-36-17-16-35-54(55)66-60(67)40-24-41-61(66)69(50-29-10-3-11-30-50)51-45-46-59-65(47-51)71(52-31-12-4-13-32-52,53-33-14-5-15-34-53)64-44-23-20-39-58(64)68(59)56-37-18-21-42-62(56)70-63-43-22-19-38-57(63)68;1-3-21-48(22-4-1)69(49-23-5-2-6-24-49)62-36-16-12-31-56(62)65(54-29-10-13-33-59(54)67-60-34-14-11-30-55(60)65)57-42-41-47(43-63(57)69)66(58-32-18-28-53-52-26-9-15-35-61(52)68-64(53)58)46-39-37-45(38-40-46)51-27-17-20-44-19-7-8-25-50(44)51;1-3-17-43(18-4-1)66(44-19-5-2-6-20-44)59-30-16-11-25-51(59)61(49-23-9-14-28-55(49)65-56-29-15-10-24-50(56)61)52-36-33-42(39-60(52)66)62(40-31-34-47-45-21-7-12-26-53(45)63-57(47)37-40)41-32-35-48-46-22-8-13-27-54(46)64-58(48)38-41/h1-47H;1-43H;1-39H.
What are the key properties of N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine;N,N-di(dibenzofuran-3-yl)-5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine;N-(9,9-diphenylfluoren-4-yl)-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine?
N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine;N,N-di(dibenzofuran-3-yl)-5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine;N-(9,9-diphenylfluoren-4-yl)-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine has a molecular weight of 2698.51 g/mol, XLogP of 41.36, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine;N,N-di(dibenzofuran-3-yl)-5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine;N-(9,9-diphenylfluoren-4-yl)-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine is sourced from PubChem (CID 161242079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).