N-naphthalen-1-yl-5,6-diphenyl-N-(7-phenyldibenzofuran-3-yl)indolo[3,2-b][1,4]benzothiazin-3-amine

C54H35N3OS — CID 146360336

IUPACN-naphthalen-1-yl-5,6-diphenyl-N-(7-phenyldibenzofuran-3-yl)indolo[3,2-b][1,4]benzothiazin-3-amine
SMILESc1ccc(-c2ccc3c(c2)oc2cc(N(c4ccc5c(c4)N(c4ccccc4)c4c(c6ccccc6n4-c4ccccc4)S5)c4cccc5ccccc45)ccc23)cc1
InChIInChI=1S/C54H35N3OS/c1-4-15-36(16-5-1)38-27-30-44-45-31-28-42(35-51(45)58-50(44)33-38)55(47-26-14-18-37-17-10-11-23-43(37)47)41-29-32-52-49(34-41)57(40-21-8-3-9-22-40)54-53(59-52)46-24-12-13-25-48(46)56(54)39-19-6-2-7-20-39/h1-35H
InChIKeyRXYJUIOTHOEFJX-UHFFFAOYSA-N
MW773.96 g/mol
LogP15.75
Rot. Bonds6

About N-naphthalen-1-yl-5,6-diphenyl-N-(7-phenyldibenzofuran-3-yl)indolo[3,2-b][1,4]benzothiazin-3-amine

N-naphthalen-1-yl-5,6-diphenyl-N-(7-phenyldibenzofuran-3-yl)indolo[3,2-b][1,4]benzothiazin-3-amine (PubChem CID 146360336) has the molecular formula C54H35N3OS and a molecular weight of 773.96 g/mol. Its IUPAC name is N-naphthalen-1-yl-5,6-diphenyl-N-(7-phenyldibenzofuran-3-yl)indolo[3,2-b][1,4]benzothiazin-3-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-5,6-diphenyl-N-(7-phenyldibenzofuran-3-yl)indolo[3,2-b][1,4]benzothiazin-3-amine
PubChem CID146360336
Molecular FormulaC54H35N3OS
Molecular Weight773.96 g/mol
Exact Mass773.25
IUPAC NameN-naphthalen-1-yl-5,6-diphenyl-N-(7-phenyldibenzofuran-3-yl)indolo[3,2-b][1,4]benzothiazin-3-amine
SMILESc1ccc(-c2ccc3c(c2)oc2cc(N(c4ccc5c(c4)N(c4ccccc4)c4c(c6ccccc6n4-c4ccccc4)S5)c4cccc5ccccc45)ccc23)cc1
InChIInChI=1S/C54H35N3OS/c1-4-15-36(16-5-1)38-27-30-44-45-31-28-42(35-51(45)58-50(44)33-38)55(47-26-14-18-37-17-10-11-23-43(37)47)41-29-32-52-49(34-41)57(40-21-8-3-9-22-40)54-53(59-52)46-24-12-13-25-48(46)56(54)39-19-6-2-7-20-39/h1-35H
InChIKeyRXYJUIOTHOEFJX-UHFFFAOYSA-N
XLogP15.75
TPSA24.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.96
LogP ≤ 515.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-naphthalen-1-yl-5,6-diphenyl-N-(7-phenyldibenzofuran-3-yl)indolo[3,2-b][1,4]benzothiazin-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-naphthalen-1-yl-5,6,11,11-tetraphenyl-N-(7-phenyldibenzofuran-3-yl)indolo[2,3-b][1,4]benzazasilin-3-amine
CID 153449168
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-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
N-(3-carbazol-9-ylphenyl)-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]naphthalen-1-amine
CID 148923282
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
N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)naphthalen-1-amine
CID 153314840
N-dibenzofuran-3-yl-5,6,11-triphenyl-N-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]quinoxalin-3-amine
CID 153449157
5,6-diphenyl-N,N-bis(4-phenylphenyl)indolo[3,2-b][1,4]benzothiazin-9-amine
CID 146360299
N-naphthalen-1-yl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzofuran-3-amine
CID 174256131
N-naphthalen-1-yl-7-phenyl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-11-yl)phenyl]dibenzofuran-3-amine
CID 146508585
N-dibenzofuran-3-yl-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine
CID 164790550
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

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-5,6-diphenyl-N-(7-phenyldibenzofuran-3-yl)indolo[3,2-b][1,4]benzothiazin-3-amine?
The IUPAC name of N-naphthalen-1-yl-5,6-diphenyl-N-(7-phenyldibenzofuran-3-yl)indolo[3,2-b][1,4]benzothiazin-3-amine (CID 146360336) is N-naphthalen-1-yl-5,6-diphenyl-N-(7-phenyldibenzofuran-3-yl)indolo[3,2-b][1,4]benzothiazin-3-amine.
What is the SMILES notation for N-naphthalen-1-yl-5,6-diphenyl-N-(7-phenyldibenzofuran-3-yl)indolo[3,2-b][1,4]benzothiazin-3-amine?
The canonical SMILES for N-naphthalen-1-yl-5,6-diphenyl-N-(7-phenyldibenzofuran-3-yl)indolo[3,2-b][1,4]benzothiazin-3-amine is c1ccc(-c2ccc3c(c2)oc2cc(N(c4ccc5c(c4)N(c4ccccc4)c4c(c6ccccc6n4-c4ccccc4)S5)c4cccc5ccccc45)ccc23)cc1.
What is the InChIKey of N-naphthalen-1-yl-5,6-diphenyl-N-(7-phenyldibenzofuran-3-yl)indolo[3,2-b][1,4]benzothiazin-3-amine?
The InChIKey is RXYJUIOTHOEFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3OS/c1-4-15-36(16-5-1)38-27-30-44-45-31-28-42(35-51(45)58-50(44)33-38)55(47-26-14-18-37-17-10-11-23-43(37)47)41-29-32-52-49(34-41)57(40-21-8-3-9-22-40)54-53(59-52)46-24-12-13-25-48(46)56(54)39-19-6-2-7-20-39/h1-35H.
What are the key properties of N-naphthalen-1-yl-5,6-diphenyl-N-(7-phenyldibenzofuran-3-yl)indolo[3,2-b][1,4]benzothiazin-3-amine?
N-naphthalen-1-yl-5,6-diphenyl-N-(7-phenyldibenzofuran-3-yl)indolo[3,2-b][1,4]benzothiazin-3-amine has a molecular weight of 773.96 g/mol, XLogP of 15.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-5,6-diphenyl-N-(7-phenyldibenzofuran-3-yl)indolo[3,2-b][1,4]benzothiazin-3-amine is sourced from PubChem (CID 146360336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).