chloroform;N,N-diphenyl-4-[(E)-2-[2-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]ethenyl]aniline

C50H36Cl6N4S2 — CID 139044492

IUPACchloroform;N,N-diphenyl-4-[(E)-2-[2-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]ethenyl]aniline
SMILESC(=C/c1nc2cc3sc(/C=C/c4ccc(N(c5ccccc5)c5ccccc5)cc4)nc3cc2s1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1.ClC(Cl)Cl.ClC(Cl)Cl
InChIInChI=1S/C48H34N4S2.2CHCl3/c1-5-13-37(14-6-1)51(38-15-7-2-8-16-38)41-27-21-35(22-28-41)25-31-47-49-43-33-46-44(34-45(43)53-47)50-48(54-46)32-26-36-23-29-42(30-24-36)52(39-17-9-3-10-18-39)40-19-11-4-12-20-40;2*2-1(3)4/h1-34H;2*1H/b31-25+,32-26+;;
InChIKeyQQHOOSOWPDUPBK-XYRDDZIASA-N
MW969.72 g/mol
LogP18.16
Rot. Bonds10

About chloroform;N,N-diphenyl-4-[(E)-2-[2-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]ethenyl]aniline

chloroform;N,N-diphenyl-4-[(E)-2-[2-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]ethenyl]aniline (PubChem CID 139044492) has the molecular formula C50H36Cl6N4S2 and a molecular weight of 969.72 g/mol. Its IUPAC name is chloroform;N,N-diphenyl-4-[(E)-2-[2-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]ethenyl]aniline.

Molecular Properties

Compound Namechloroform;N,N-diphenyl-4-[(E)-2-[2-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]ethenyl]aniline
PubChem CID139044492
Molecular FormulaC50H36Cl6N4S2
Molecular Weight969.72 g/mol
Exact Mass966.05
IUPAC Namechloroform;N,N-diphenyl-4-[(E)-2-[2-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]ethenyl]aniline
SMILESC(=C/c1nc2cc3sc(/C=C/c4ccc(N(c5ccccc5)c5ccccc5)cc4)nc3cc2s1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1.ClC(Cl)Cl.ClC(Cl)Cl
InChIInChI=1S/C48H34N4S2.2CHCl3/c1-5-13-37(14-6-1)51(38-15-7-2-8-16-38)41-27-21-35(22-28-41)25-31-47-49-43-33-46-44(34-45(43)53-47)50-48(54-46)32-26-36-23-29-42(30-24-36)52(39-17-9-3-10-18-39)40-19-11-4-12-20-40;2*2-1(3)4/h1-34H;2*1H/b31-25+,32-26+;;
InChIKeyQQHOOSOWPDUPBK-XYRDDZIASA-N
XLogP18.16
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500969.72
LogP ≤ 518.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze chloroform;N,N-diphenyl-4-[(E)-2-[2-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]ethenyl]aniline with MolForge

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Related Compounds

4-[2-(5,6-dimethyl-1,3-benzothiazol-2-yl)ethenyl]-N,N-diphenylaniline
CID 3943071
4-[(E)-2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenyl]ethenyl]-N,N-diphenylaniline
CID 10896445
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
CID 139195314
N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 177478696
1-N,1-N,4-N-triphenyl-4-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]benzene-1,4-diamine
CID 66641192
5-methyl-2-[(E)-2-phenylethenyl]-1,3-benzothiazole
CID 8831196
4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethylaniline;ethane
CID 90760249
4-[(E)-2-[4,6-bis[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-1,3,5-triazin-2-yl]ethenyl]-N,N-diphenylaniline
CID 102184385
N,N-dimethyl-4-[2-(5-methyl-1,3-benzothiazol-2-yl)ethenyl]aniline
CID 54266066
4-[(Z)-2-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)ethenyl]-N,N-dimethylaniline
CID 92933845
N,N-diphenyl-4-[(E)-2-[3-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 14366512
4-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-diphenylaniline
CID 20650306

Frequently Asked Questions

What is the IUPAC name of chloroform;N,N-diphenyl-4-[(E)-2-[2-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]ethenyl]aniline?
The IUPAC name of chloroform;N,N-diphenyl-4-[(E)-2-[2-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]ethenyl]aniline (CID 139044492) is chloroform;N,N-diphenyl-4-[(E)-2-[2-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]ethenyl]aniline.
What is the SMILES notation for chloroform;N,N-diphenyl-4-[(E)-2-[2-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]ethenyl]aniline?
The canonical SMILES for chloroform;N,N-diphenyl-4-[(E)-2-[2-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]ethenyl]aniline is C(=C/c1nc2cc3sc(/C=C/c4ccc(N(c5ccccc5)c5ccccc5)cc4)nc3cc2s1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1.ClC(Cl)Cl.ClC(Cl)Cl.
What is the InChIKey of chloroform;N,N-diphenyl-4-[(E)-2-[2-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]ethenyl]aniline?
The InChIKey is QQHOOSOWPDUPBK-XYRDDZIASA-N. The full InChI is InChI=1S/C48H34N4S2.2CHCl3/c1-5-13-37(14-6-1)51(38-15-7-2-8-16-38)41-27-21-35(22-28-41)25-31-47-49-43-33-46-44(34-45(43)53-47)50-48(54-46)32-26-36-23-29-42(30-24-36)52(39-17-9-3-10-18-39)40-19-11-4-12-20-40;2*2-1(3)4/h1-34H;2*1H/b31-25+,32-26+;;.
What are the key properties of chloroform;N,N-diphenyl-4-[(E)-2-[2-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]ethenyl]aniline?
chloroform;N,N-diphenyl-4-[(E)-2-[2-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]ethenyl]aniline has a molecular weight of 969.72 g/mol, XLogP of 18.16, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;N,N-diphenyl-4-[(E)-2-[2-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]ethenyl]aniline is sourced from PubChem (CID 139044492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).