N,4-diphenyl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzothiazol-5-yl)phenyl]aniline

C43H28N2S2 — CID 171455636

IUPACN,4-diphenyl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzothiazol-5-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cccc5sc6cc7nc(-c8ccccc8)sc7cc6c45)cc3)cc2)cc1
InChIInChI=1S/C43H28N2S2/c1-4-11-29(12-5-1)30-19-23-34(24-20-30)45(33-15-8-3-9-16-33)35-25-21-31(22-26-35)36-17-10-18-39-42(36)37-27-41-38(28-40(37)46-39)44-43(47-41)32-13-6-2-7-14-32/h1-28H
InChIKeyIGLFCJGAVVWPNH-UHFFFAOYSA-N
MW636.85 g/mol
LogP13.14
Rot. Bonds6

About N,4-diphenyl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzothiazol-5-yl)phenyl]aniline

N,4-diphenyl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzothiazol-5-yl)phenyl]aniline (PubChem CID 171455636) has the molecular formula C43H28N2S2 and a molecular weight of 636.85 g/mol. Its IUPAC name is N,4-diphenyl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzothiazol-5-yl)phenyl]aniline.

Molecular Properties

Compound NameN,4-diphenyl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzothiazol-5-yl)phenyl]aniline
PubChem CID171455636
Molecular FormulaC43H28N2S2
Molecular Weight636.85 g/mol
Exact Mass636.17
IUPAC NameN,4-diphenyl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzothiazol-5-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cccc5sc6cc7nc(-c8ccccc8)sc7cc6c45)cc3)cc2)cc1
InChIInChI=1S/C43H28N2S2/c1-4-11-29(12-5-1)30-19-23-34(24-20-30)45(33-15-8-3-9-16-33)35-25-21-31(22-26-35)36-17-10-18-39-42(36)37-27-41-38(28-40(37)46-39)44-43(47-41)32-13-6-2-7-14-32/h1-28H
InChIKeyIGLFCJGAVVWPNH-UHFFFAOYSA-N
XLogP13.14
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.85
LogP ≤ 513.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-phenanthren-9-ylphenyl)-N-phenyl-4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzothiazol-8-yl)aniline
CID 171455501
N-(4-phenylphenyl)-N-[2-phenyl-4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzothiazol-8-yl)phenyl]dibenzothiophen-1-amine
CID 171455842
2-(4-phenylphenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-f][1,3]benzothiazole
CID 171456256
2-phenyl-5-[4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-f][1,3]benzothiazole
CID 171455938
N-dibenzothiophen-3-yl-9-phenyl-N-(4-phenylphenyl)naphtho[2,1-f][1,3]benzothiazol-2-amine
CID 163724214
N-[3-(2-phenyl-1,3-benzothiazol-5-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-3-amine
CID 163963879
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzothiazole
CID 171455774
N-[4-[4-(N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 59707544
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-phenyl-N-[4-(3-phenylphenyl)phenyl]-1,3-benzothiazol-6-amine
CID 159040137
2-phenyl-5-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-f][1,3]benzothiazole
CID 171456417
N,2-diphenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-7-yl)-N-(4-phenylphenyl)aniline
CID 167127386
5-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-[1]benzothiolo[2,3-f][1,3]benzothiazole
CID 171455522

Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzothiazol-5-yl)phenyl]aniline?
The IUPAC name of N,4-diphenyl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzothiazol-5-yl)phenyl]aniline (CID 171455636) is N,4-diphenyl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzothiazol-5-yl)phenyl]aniline.
What is the SMILES notation for N,4-diphenyl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzothiazol-5-yl)phenyl]aniline?
The canonical SMILES for N,4-diphenyl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzothiazol-5-yl)phenyl]aniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cccc5sc6cc7nc(-c8ccccc8)sc7cc6c45)cc3)cc2)cc1.
What is the InChIKey of N,4-diphenyl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzothiazol-5-yl)phenyl]aniline?
The InChIKey is IGLFCJGAVVWPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2S2/c1-4-11-29(12-5-1)30-19-23-34(24-20-30)45(33-15-8-3-9-16-33)35-25-21-31(22-26-35)36-17-10-18-39-42(36)37-27-41-38(28-40(37)46-39)44-43(47-41)32-13-6-2-7-14-32/h1-28H.
What are the key properties of N,4-diphenyl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzothiazol-5-yl)phenyl]aniline?
N,4-diphenyl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzothiazol-5-yl)phenyl]aniline has a molecular weight of 636.85 g/mol, XLogP of 13.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diphenyl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzothiazol-5-yl)phenyl]aniline is sourced from PubChem (CID 171455636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).