N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5,6-diphenylindolo[3,2-b][1,4]benzothiazin-2-amine;N,N-di(dibenzofuran-3-yl)-5,6-diphenylindolo[3,2-b][1,4]benzothiazin-2-amine;N-(3,5-diphenylphenyl)-N,5,6-triphenylindolo[3,2-b][1,4]benzothiazin-2-amine

C154H101N9O2S4 — CID 159682101

IUPACN-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5,6-diphenylindolo[3,2-b][1,4]benzothiazin-2-amine;N,N-di(dibenzofuran-3-yl)-5,6-diphenylindolo[3,2-b][1,4]benzothiazin-2-amine;N-(3,5-diphenylphenyl)-N,5,6-triphenylindolo[3,2-b][1,4]benzothiazin-2-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3)c3ccc4c(c3)Sc3c(n(-c5ccccc5)c5ccccc35)N4c3ccccc3)c2)cc1.c1ccc(N2c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc5c4sc4ccccc45)cc3Sc3c2n(-c2ccccc2)c2ccccc32)cc1.c1ccc(N2c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5c(c4)oc4ccccc45)cc3Sc3c2n(-c2ccccc2)c2ccccc32)cc1
InChIInChI=1S/C54H35N3S2.C50H31N3O2S.C50H35N3S/c1-3-17-38(18-4-1)56-47-26-11-9-23-46(47)53-54(56)57(39-19-5-2-6-20-39)48-34-33-41(35-51(48)59-53)55(49-27-14-25-45-44-22-10-12-28-50(44)58-52(45)49)40-31-29-37(30-32-40)43-24-13-16-36-15-7-8-21-42(36)43;1-3-13-32(14-4-1)52-42-20-10-7-19-41(42)49-50(52)53(33-15-5-2-6-16-33)43-28-25-36(31-48(43)56-49)51(34-23-26-39-37-17-8-11-21-44(37)54-46(39)29-34)35-24-27-40-38-18-9-12-22-45(38)55-47(40)30-35;1-6-18-36(19-7-1)38-32-39(37-20-8-2-9-21-37)34-44(33-38)51(40-22-10-3-11-23-40)43-30-31-47-48(35-43)54-49-45-28-16-17-29-46(45)52(41-24-12-4-13-25-41)50(49)53(47)42-26-14-5-15-27-42/h1-35H;1-31H;1-35H
InChIKeyMVIGISGEEOEARY-UHFFFAOYSA-N
MW2237.83 g/mol
LogP45.42
Rot. Bonds18

About N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5,6-diphenylindolo[3,2-b][1,4]benzothiazin-2-amine;N,N-di(dibenzofuran-3-yl)-5,6-diphenylindolo[3,2-b][1,4]benzothiazin-2-amine;N-(3,5-diphenylphenyl)-N,5,6-triphenylindolo[3,2-b][1,4]benzothiazin-2-amine

N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5,6-diphenylindolo[3,2-b][1,4]benzothiazin-2-amine;N,N-di(dibenzofuran-3-yl)-5,6-diphenylindolo[3,2-b][1,4]benzothiazin-2-amine;N-(3,5-diphenylphenyl)-N,5,6-triphenylindolo[3,2-b][1,4]benzothiazin-2-amine (PubChem CID 159682101) has the molecular formula C154H101N9O2S4 and a molecular weight of 2237.83 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5,6-diphenylindolo[3,2-b][1,4]benzothiazin-2-amine;N,N-di(dibenzofuran-3-yl)-5,6-diphenylindolo[3,2-b][1,4]benzothiazin-2-amine;N-(3,5-diphenylphenyl)-N,5,6-triphenylindolo[3,2-b][1,4]benzothiazin-2-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5,6-diphenylindolo[3,2-b][1,4]benzothiazin-2-amine;N,N-di(dibenzofuran-3-yl)-5,6-diphenylindolo[3,2-b][1,4]benzothiazin-2-amine;N-(3,5-diphenylphenyl)-N,5,6-triphenylindolo[3,2-b][1,4]benzothiazin-2-amine
PubChem CID159682101
Molecular FormulaC154H101N9O2S4
Molecular Weight2237.83 g/mol
Exact Mass2235.70
IUPAC NameN-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5,6-diphenylindolo[3,2-b][1,4]benzothiazin-2-amine;N,N-di(dibenzofuran-3-yl)-5,6-diphenylindolo[3,2-b][1,4]benzothiazin-2-amine;N-(3,5-diphenylphenyl)-N,5,6-triphenylindolo[3,2-b][1,4]benzothiazin-2-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3)c3ccc4c(c3)Sc3c(n(-c5ccccc5)c5ccccc35)N4c3ccccc3)c2)cc1.c1ccc(N2c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc5c4sc4ccccc45)cc3Sc3c2n(-c2ccccc2)c2ccccc32)cc1.c1ccc(N2c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5c(c4)oc4ccccc45)cc3Sc3c2n(-c2ccccc2)c2ccccc32)cc1
InChIInChI=1S/C54H35N3S2.C50H31N3O2S.C50H35N3S/c1-3-17-38(18-4-1)56-47-26-11-9-23-46(47)53-54(56)57(39-19-5-2-6-20-39)48-34-33-41(35-51(48)59-53)55(49-27-14-25-45-44-22-10-12-28-50(44)58-52(45)49)40-31-29-37(30-32-40)43-24-13-16-36-15-7-8-21-42(36)43;1-3-13-32(14-4-1)52-42-20-10-7-19-41(42)49-50(52)53(33-15-5-2-6-16-33)43-28-25-36(31-48(43)56-49)51(34-23-26-39-37-17-8-11-21-44(37)54-46(39)29-34)35-24-27-40-38-18-9-12-22-45(38)55-47(40)30-35;1-6-18-36(19-7-1)38-32-39(37-20-8-2-9-21-37)34-44(33-38)51(40-22-10-3-11-23-40)43-30-31-47-48(35-43)54-49-45-28-16-17-29-46(45)52(41-24-12-4-13-25-41)50(49)53(47)42-26-14-5-15-27-42/h1-35H;1-31H;1-35H
InChIKeyMVIGISGEEOEARY-UHFFFAOYSA-N
XLogP45.42
TPSA60.51 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002237.83
LogP ≤ 545.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5,6-diphenylindolo[3,2-b][1,4]benzothiazin-2-amine;N,N-di(dibenzofuran-3-yl)-5,6-diphenylindolo[3,2-b][1,4]benzothiazin-2-amine;N-(3,5-diphenylphenyl)-N,5,6-triphenylindolo[3,2-b][1,4]benzothiazin-2-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,N-bis(4-naphthalen-1-ylphenyl)-8-phenylphenanthren-1-amine;N-(4-naphthalen-1-ylphenyl)-N-(8-phenylphenanthren-1-yl)dibenzofuran-3-amine;N-(4-naphthalen-1-ylphenyl)-N-(8-phenylphenanthren-1-yl)dibenzothiophen-4-amine;N-(4-naphthalen-1-ylphenyl)-8-phenyl-N-(4-phenylphenyl)phenanthren-1-amine
CID 157163450
3-N-[3-(9-dibenzofuran-3-ylcarbazol-2-yl)phenyl]-3-N-dibenzothiophen-1-yl-1-N-phenyl-1-N-(4-phenylnaphthalen-1-yl)benzene-1,3-diamine;3-N-dibenzothiophen-4-yl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]-1-N-(4-phenylphenyl)-1-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine;1-N,1-N,3-N,5-tetraphenyl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]benzene-1,3-diamine
CID 159457155
N-dibenzothiophen-4-yl-N-[3-(5-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 154605494
N-naphthalen-1-yl-5,6-diphenyl-N-(7-phenyldibenzofuran-3-yl)indolo[3,2-b][1,4]benzothiazin-3-amine
CID 146360336
N-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-1-amine;N-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-1-amine;N-dibenzofuran-1-yl-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine;N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-1-amine
CID 165093056
N-phenanthren-2-yl-N-[4-(6-phenyl-11H-indolo[2,3-b]quinolin-5-yl)phenyl]dibenzothiophen-2-amine;N-[4-(6-phenyl-11H-indolo[2,3-b]quinolin-5-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine;N-[4-(6-phenyl-11H-indolo[2,3-b]quinolin-5-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 159772087
N-dibenzofuran-3-yl-N-[3-[3-(5,6-diphenylindolo[3,2-b][1,4]benzoxazin-9-yl)phenyl]phenyl]dibenzofuran-3-amine;5,6-diphenyl-N,N-bis(4-phenylphenyl)indolo[3,2-b][1,4]benzoxazin-10-amine;N-(4-naphthalen-1-ylphenyl)-5,6-diphenyl-N-[4-(4-phenylphenyl)phenyl]indolo[3,2-b][1,4]benzoxazin-10-amine
CID 161033389
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-(9-phenylcarbazol-2-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine
CID 168814275
N-dibenzofuran-3-yl-N-[3-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-9-yl)phenyl]phenyl]dibenzofuran-3-amine
CID 146360302
N-[3-[3-[dibenzofuran-3-yl(dibenzothiophen-4-yl)amino]phenyl]phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 167086280
N,N-bis(4-naphthalen-1-ylphenyl)-5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-amine;N-[4-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine;N-(4-naphthalen-1-ylphenyl)-5,6-diphenyl-N-[4-(4-phenylphenyl)phenyl]indolo[3,2-b][1,4]benzothiazin-10-amine
CID 161267862

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5,6-diphenylindolo[3,2-b][1,4]benzothiazin-2-amine;N,N-di(dibenzofuran-3-yl)-5,6-diphenylindolo[3,2-b][1,4]benzothiazin-2-amine;N-(3,5-diphenylphenyl)-N,5,6-triphenylindolo[3,2-b][1,4]benzothiazin-2-amine?
The IUPAC name of N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5,6-diphenylindolo[3,2-b][1,4]benzothiazin-2-amine;N,N-di(dibenzofuran-3-yl)-5,6-diphenylindolo[3,2-b][1,4]benzothiazin-2-amine;N-(3,5-diphenylphenyl)-N,5,6-triphenylindolo[3,2-b][1,4]benzothiazin-2-amine (CID 159682101) is N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5,6-diphenylindolo[3,2-b][1,4]benzothiazin-2-amine;N,N-di(dibenzofuran-3-yl)-5,6-diphenylindolo[3,2-b][1,4]benzothiazin-2-amine;N-(3,5-diphenylphenyl)-N,5,6-triphenylindolo[3,2-b][1,4]benzothiazin-2-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5,6-diphenylindolo[3,2-b][1,4]benzothiazin-2-amine;N,N-di(dibenzofuran-3-yl)-5,6-diphenylindolo[3,2-b][1,4]benzothiazin-2-amine;N-(3,5-diphenylphenyl)-N,5,6-triphenylindolo[3,2-b][1,4]benzothiazin-2-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5,6-diphenylindolo[3,2-b][1,4]benzothiazin-2-amine;N,N-di(dibenzofuran-3-yl)-5,6-diphenylindolo[3,2-b][1,4]benzothiazin-2-amine;N-(3,5-diphenylphenyl)-N,5,6-triphenylindolo[3,2-b][1,4]benzothiazin-2-amine is c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3)c3ccc4c(c3)Sc3c(n(-c5ccccc5)c5ccccc35)N4c3ccccc3)c2)cc1.c1ccc(N2c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc5c4sc4ccccc45)cc3Sc3c2n(-c2ccccc2)c2ccccc32)cc1.c1ccc(N2c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5c(c4)oc4ccccc45)cc3Sc3c2n(-c2ccccc2)c2ccccc32)cc1.
What is the InChIKey of N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5,6-diphenylindolo[3,2-b][1,4]benzothiazin-2-amine;N,N-di(dibenzofuran-3-yl)-5,6-diphenylindolo[3,2-b][1,4]benzothiazin-2-amine;N-(3,5-diphenylphenyl)-N,5,6-triphenylindolo[3,2-b][1,4]benzothiazin-2-amine?
The InChIKey is MVIGISGEEOEARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3S2.C50H31N3O2S.C50H35N3S/c1-3-17-38(18-4-1)56-47-26-11-9-23-46(47)53-54(56)57(39-19-5-2-6-20-39)48-34-33-41(35-51(48)59-53)55(49-27-14-25-45-44-22-10-12-28-50(44)58-52(45)49)40-31-29-37(30-32-40)43-24-13-16-36-15-7-8-21-42(36)43;1-3-13-32(14-4-1)52-42-20-10-7-19-41(42)49-50(52)53(33-15-5-2-6-16-33)43-28-25-36(31-48(43)56-49)51(34-23-26-39-37-17-8-11-21-44(37)54-46(39)29-34)35-24-27-40-38-18-9-12-22-45(38)55-47(40)30-35;1-6-18-36(19-7-1)38-32-39(37-20-8-2-9-21-37)34-44(33-38)51(40-22-10-3-11-23-40)43-30-31-47-48(35-43)54-49-45-28-16-17-29-46(45)52(41-24-12-4-13-25-41)50(49)53(47)42-26-14-5-15-27-42/h1-35H;1-31H;1-35H.
What are the key properties of N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5,6-diphenylindolo[3,2-b][1,4]benzothiazin-2-amine;N,N-di(dibenzofuran-3-yl)-5,6-diphenylindolo[3,2-b][1,4]benzothiazin-2-amine;N-(3,5-diphenylphenyl)-N,5,6-triphenylindolo[3,2-b][1,4]benzothiazin-2-amine?
N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5,6-diphenylindolo[3,2-b][1,4]benzothiazin-2-amine;N,N-di(dibenzofuran-3-yl)-5,6-diphenylindolo[3,2-b][1,4]benzothiazin-2-amine;N-(3,5-diphenylphenyl)-N,5,6-triphenylindolo[3,2-b][1,4]benzothiazin-2-amine has a molecular weight of 2237.83 g/mol, XLogP of 45.42, 18 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5,6-diphenylindolo[3,2-b][1,4]benzothiazin-2-amine;N,N-di(dibenzofuran-3-yl)-5,6-diphenylindolo[3,2-b][1,4]benzothiazin-2-amine;N-(3,5-diphenylphenyl)-N,5,6-triphenylindolo[3,2-b][1,4]benzothiazin-2-amine is sourced from PubChem (CID 159682101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).