N,N-diphenyl-4-(6-phenylindolo[3,2-b][1,4]benzothiazin-5-yl)aniline

C38H27N3S — CID 146360162

IUPACN,N-diphenyl-4-(6-phenylindolo[3,2-b][1,4]benzothiazin-5-yl)aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(N3c4ccccc4Sc4c3n(-c3ccccc3)c3ccccc43)cc2)cc1
InChIInChI=1S/C38H27N3S/c1-4-14-28(15-5-1)39(29-16-6-2-7-17-29)31-24-26-32(27-25-31)41-35-22-12-13-23-36(35)42-37-33-20-10-11-21-34(33)40(38(37)41)30-18-8-3-9-19-30/h1-27H
InChIKeyPNDBONWEHNCANP-UHFFFAOYSA-N
MW557.72 g/mol
LogP11.03
Rot. Bonds5

About N,N-diphenyl-4-(6-phenylindolo[3,2-b][1,4]benzothiazin-5-yl)aniline

N,N-diphenyl-4-(6-phenylindolo[3,2-b][1,4]benzothiazin-5-yl)aniline (PubChem CID 146360162) has the molecular formula C38H27N3S and a molecular weight of 557.72 g/mol. Its IUPAC name is N,N-diphenyl-4-(6-phenylindolo[3,2-b][1,4]benzothiazin-5-yl)aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-(6-phenylindolo[3,2-b][1,4]benzothiazin-5-yl)aniline
PubChem CID146360162
Molecular FormulaC38H27N3S
Molecular Weight557.72 g/mol
Exact Mass557.19
IUPAC NameN,N-diphenyl-4-(6-phenylindolo[3,2-b][1,4]benzothiazin-5-yl)aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(N3c4ccccc4Sc4c3n(-c3ccccc3)c3ccccc43)cc2)cc1
InChIInChI=1S/C38H27N3S/c1-4-14-28(15-5-1)39(29-16-6-2-7-17-29)31-24-26-32(27-25-31)41-35-22-12-13-23-36(35)42-37-33-20-10-11-21-34(33)40(38(37)41)30-18-8-3-9-19-30/h1-27H
InChIKeyPNDBONWEHNCANP-UHFFFAOYSA-N
XLogP11.03
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.72
LogP ≤ 511.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-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,N-diphenyl-4-(10-phenylspiro[acridine-9,7'-thiochromeno[2,3-a]carbazole]-13'-yl)aniline
CID 134351920
N-(4-carbazol-9-ylphenyl)-10-dibenzothiophen-3-yl-N-phenylphenothiazin-3-amine
CID 163707720
4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 20607981
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-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-[3-(10-phenylphenoxazin-3-yl)carbazol-9-yl]aniline
CID 147912487
N-(4-carbazol-9-ylphenyl)-3-phenyl-N-(3-phenylphenyl)aniline
CID 121312722
N,4-bis(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 90296019
4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 160833805
10-[4-[6-(4-phenothiazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenothiazine
CID 137467162

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-(6-phenylindolo[3,2-b][1,4]benzothiazin-5-yl)aniline?
The IUPAC name of N,N-diphenyl-4-(6-phenylindolo[3,2-b][1,4]benzothiazin-5-yl)aniline (CID 146360162) is N,N-diphenyl-4-(6-phenylindolo[3,2-b][1,4]benzothiazin-5-yl)aniline.
What is the SMILES notation for N,N-diphenyl-4-(6-phenylindolo[3,2-b][1,4]benzothiazin-5-yl)aniline?
The canonical SMILES for N,N-diphenyl-4-(6-phenylindolo[3,2-b][1,4]benzothiazin-5-yl)aniline is c1ccc(N(c2ccccc2)c2ccc(N3c4ccccc4Sc4c3n(-c3ccccc3)c3ccccc43)cc2)cc1.
What is the InChIKey of N,N-diphenyl-4-(6-phenylindolo[3,2-b][1,4]benzothiazin-5-yl)aniline?
The InChIKey is PNDBONWEHNCANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27N3S/c1-4-14-28(15-5-1)39(29-16-6-2-7-17-29)31-24-26-32(27-25-31)41-35-22-12-13-23-36(35)42-37-33-20-10-11-21-34(33)40(38(37)41)30-18-8-3-9-19-30/h1-27H.
What are the key properties of N,N-diphenyl-4-(6-phenylindolo[3,2-b][1,4]benzothiazin-5-yl)aniline?
N,N-diphenyl-4-(6-phenylindolo[3,2-b][1,4]benzothiazin-5-yl)aniline has a molecular weight of 557.72 g/mol, XLogP of 11.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-(6-phenylindolo[3,2-b][1,4]benzothiazin-5-yl)aniline is sourced from PubChem (CID 146360162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).