5,6-diphenyl-N,N-bis(4-phenylphenyl)indolo[3,2-b][1,4]benzothiazin-9-amine

C50H35N3S — CID 146360299

IUPAC5,6-diphenyl-N,N-bis(4-phenylphenyl)indolo[3,2-b][1,4]benzothiazin-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3c(n4-c4ccccc4)N(c4ccccc4)c4ccccc4S3)cc2)cc1
InChIInChI=1S/C50H35N3S/c1-5-15-36(16-6-1)38-25-29-42(30-26-38)51(43-31-27-39(28-32-43)37-17-7-2-8-18-37)44-33-34-46-45(35-44)49-50(52(46)40-19-9-3-10-20-40)53(41-21-11-4-12-22-41)47-23-13-14-24-48(47)54-49/h1-35H
InChIKeyMTWNOJZOQBVORU-UHFFFAOYSA-N
MW709.92 g/mol
LogP14.37
Rot. Bonds7

About 5,6-diphenyl-N,N-bis(4-phenylphenyl)indolo[3,2-b][1,4]benzothiazin-9-amine

5,6-diphenyl-N,N-bis(4-phenylphenyl)indolo[3,2-b][1,4]benzothiazin-9-amine (PubChem CID 146360299) has the molecular formula C50H35N3S and a molecular weight of 709.92 g/mol. Its IUPAC name is 5,6-diphenyl-N,N-bis(4-phenylphenyl)indolo[3,2-b][1,4]benzothiazin-9-amine.

Molecular Properties

Compound Name5,6-diphenyl-N,N-bis(4-phenylphenyl)indolo[3,2-b][1,4]benzothiazin-9-amine
PubChem CID146360299
Molecular FormulaC50H35N3S
Molecular Weight709.92 g/mol
Exact Mass709.26
IUPAC Name5,6-diphenyl-N,N-bis(4-phenylphenyl)indolo[3,2-b][1,4]benzothiazin-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3c(n4-c4ccccc4)N(c4ccccc4)c4ccccc4S3)cc2)cc1
InChIInChI=1S/C50H35N3S/c1-5-15-36(16-6-1)38-25-29-42(30-26-38)51(43-31-27-39(28-32-43)37-17-7-2-8-18-37)44-33-34-46-45(35-44)49-50(52(46)40-19-9-3-10-20-40)53(41-21-11-4-12-22-41)47-23-13-14-24-48(47)54-49/h1-35H
InChIKeyMTWNOJZOQBVORU-UHFFFAOYSA-N
XLogP14.37
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.92
LogP ≤ 514.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diphenyl-4-(6-phenylindolo[3,2-b][1,4]benzothiazin-5-yl)aniline
CID 146360162
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
10-[4-[6-(4-phenothiazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenothiazine
CID 137467162
N-naphthalen-1-yl-5,6-diphenyl-N-(7-phenyldibenzofuran-3-yl)indolo[3,2-b][1,4]benzothiazin-3-amine
CID 146360336
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005
N-[4-[3-(6,9-diphenylcarbazol-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 59470021
N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312844
1-N-phenyl-1-N-[4-[9-phenyl-6-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]-4-N,4-N-bis[4-(N-[4-[9-phenyl-6-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]anilino)phenyl]benzene-1,4-diamine
CID 118402477
3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
N-[4-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]phenyl]-N-phenanthren-2-yldibenzothiophen-2-amine;N-[4-[4-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline;N-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]-N,9,9-triphenylfluoren-2-amine
CID 162182980

Frequently Asked Questions

What is the IUPAC name of 5,6-diphenyl-N,N-bis(4-phenylphenyl)indolo[3,2-b][1,4]benzothiazin-9-amine?
The IUPAC name of 5,6-diphenyl-N,N-bis(4-phenylphenyl)indolo[3,2-b][1,4]benzothiazin-9-amine (CID 146360299) is 5,6-diphenyl-N,N-bis(4-phenylphenyl)indolo[3,2-b][1,4]benzothiazin-9-amine.
What is the SMILES notation for 5,6-diphenyl-N,N-bis(4-phenylphenyl)indolo[3,2-b][1,4]benzothiazin-9-amine?
The canonical SMILES for 5,6-diphenyl-N,N-bis(4-phenylphenyl)indolo[3,2-b][1,4]benzothiazin-9-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3c(n4-c4ccccc4)N(c4ccccc4)c4ccccc4S3)cc2)cc1.
What is the InChIKey of 5,6-diphenyl-N,N-bis(4-phenylphenyl)indolo[3,2-b][1,4]benzothiazin-9-amine?
The InChIKey is MTWNOJZOQBVORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35N3S/c1-5-15-36(16-6-1)38-25-29-42(30-26-38)51(43-31-27-39(28-32-43)37-17-7-2-8-18-37)44-33-34-46-45(35-44)49-50(52(46)40-19-9-3-10-20-40)53(41-21-11-4-12-22-41)47-23-13-14-24-48(47)54-49/h1-35H.
What are the key properties of 5,6-diphenyl-N,N-bis(4-phenylphenyl)indolo[3,2-b][1,4]benzothiazin-9-amine?
5,6-diphenyl-N,N-bis(4-phenylphenyl)indolo[3,2-b][1,4]benzothiazin-9-amine has a molecular weight of 709.92 g/mol, XLogP of 14.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diphenyl-N,N-bis(4-phenylphenyl)indolo[3,2-b][1,4]benzothiazin-9-amine is sourced from PubChem (CID 146360299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).