N-dibenzofuran-3-yl-N-[3-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-9-yl)phenyl]phenyl]dibenzofuran-3-amine

C62H39N3O2S — CID 146360302

IUPACN-dibenzofuran-3-yl-N-[3-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-9-yl)phenyl]phenyl]dibenzofuran-3-amine
SMILESc1ccc(N2c3ccccc3Sc3c2n(-c2ccccc2)c2ccc(-c4cccc(-c5cccc(N(c6ccc7c(c6)oc6ccccc67)c6ccc7c(c6)oc6ccccc67)c5)c4)cc32)cc1
InChIInChI=1S/C62H39N3O2S/c1-3-18-44(19-4-1)64-54-34-29-43(37-53(54)61-62(64)65(45-20-5-2-6-21-45)55-25-9-12-28-60(55)68-61)41-16-13-15-40(35-41)42-17-14-22-46(36-42)63(47-30-32-51-49-23-7-10-26-56(49)66-58(51)38-47)48-31-33-52-50-24-8-11-27-57(50)67-59(52)39-48/h1-39H
InChIKeySYLJBAFRHQAIJC-UHFFFAOYSA-N
MW890.08 g/mol
LogP18.17
Rot. Bonds7

About N-dibenzofuran-3-yl-N-[3-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-9-yl)phenyl]phenyl]dibenzofuran-3-amine

N-dibenzofuran-3-yl-N-[3-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-9-yl)phenyl]phenyl]dibenzofuran-3-amine (PubChem CID 146360302) has the molecular formula C62H39N3O2S and a molecular weight of 890.08 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-[3-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-9-yl)phenyl]phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N-[3-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-9-yl)phenyl]phenyl]dibenzofuran-3-amine
PubChem CID146360302
Molecular FormulaC62H39N3O2S
Molecular Weight890.08 g/mol
Exact Mass889.28
IUPAC NameN-dibenzofuran-3-yl-N-[3-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-9-yl)phenyl]phenyl]dibenzofuran-3-amine
SMILESc1ccc(N2c3ccccc3Sc3c2n(-c2ccccc2)c2ccc(-c4cccc(-c5cccc(N(c6ccc7c(c6)oc6ccccc67)c6ccc7c(c6)oc6ccccc67)c5)c4)cc32)cc1
InChIInChI=1S/C62H39N3O2S/c1-3-18-44(19-4-1)64-54-34-29-43(37-53(54)61-62(64)65(45-20-5-2-6-21-45)55-25-9-12-28-60(55)68-61)41-16-13-15-40(35-41)42-17-14-22-46(36-42)63(47-30-32-51-49-23-7-10-26-56(49)66-58(51)38-47)48-31-33-52-50-24-8-11-27-57(50)67-59(52)39-48/h1-39H
InChIKeySYLJBAFRHQAIJC-UHFFFAOYSA-N
XLogP18.17
TPSA37.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500890.08
LogP ≤ 518.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-dibenzofuran-3-yl-N-[3-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-9-yl)phenyl]phenyl]dibenzofuran-3-amine with MolForge

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Related Compounds

5,6-diphenyl-N,N-bis(4-phenylphenyl)indolo[3,2-b][1,4]benzothiazin-9-amine
CID 146360299
N-naphthalen-1-yl-5,6-diphenyl-N-(7-phenyldibenzofuran-3-yl)indolo[3,2-b][1,4]benzothiazin-3-amine
CID 146360336
N,N-diphenyl-4-(6-phenylindolo[3,2-b][1,4]benzothiazin-5-yl)aniline
CID 146360162
N-[3-(5,6-diphenyl-11H-indolo[2,3-b][1,4]benzazasilin-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 146815382
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
3-[3-[3-dibenzofuran-3-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,N-diphenylaniline
CID 121443664
N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085107
7-N-dibenzofuran-3-yl-3-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
CID 170410174
N-[4-(6-dibenzofuran-2-yl-9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 90194656
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 161469744
N-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-3-amine
CID 118462597
N-dibenzofuran-3-yl-5,6,11-triphenyl-N-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]quinoxalin-3-amine
CID 153449157

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-[3-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-9-yl)phenyl]phenyl]dibenzofuran-3-amine?
The IUPAC name of 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) is N-dibenzofuran-3-yl-N-[3-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-9-yl)phenyl]phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N-[3-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-9-yl)phenyl]phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N-[3-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-9-yl)phenyl]phenyl]dibenzofuran-3-amine is c1ccc(N2c3ccccc3Sc3c2n(-c2ccccc2)c2ccc(-c4cccc(-c5cccc(N(c6ccc7c(c6)oc6ccccc67)c6ccc7c(c6)oc6ccccc67)c5)c4)cc32)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-N-[3-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-9-yl)phenyl]phenyl]dibenzofuran-3-amine?
The InChIKey is SYLJBAFRHQAIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39N3O2S/c1-3-18-44(19-4-1)64-54-34-29-43(37-53(54)61-62(64)65(45-20-5-2-6-21-45)55-25-9-12-28-60(55)68-61)41-16-13-15-40(35-41)42-17-14-22-46(36-42)63(47-30-32-51-49-23-7-10-26-56(49)66-58(51)38-47)48-31-33-52-50-24-8-11-27-57(50)67-59(52)39-48/h1-39H.
What are the key properties of N-dibenzofuran-3-yl-N-[3-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-9-yl)phenyl]phenyl]dibenzofuran-3-amine?
N-dibenzofuran-3-yl-N-[3-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-9-yl)phenyl]phenyl]dibenzofuran-3-amine has a molecular weight of 890.08 g/mol, XLogP of 18.17, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-N-[3-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-9-yl)phenyl]phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 146360302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).