N-[4-(11-phenylindolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine

C48H32N2S — CID 153475856

IUPACN-[4-(11-phenylindolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cccc4c3sc3c(-c5ccccc5)c5ccccc5n34)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C48H32N2S/c1-3-15-33(16-4-1)38-22-9-11-25-42(38)49(43-27-13-20-34-17-7-8-21-39(34)43)37-31-29-35(30-32-37)40-24-14-28-45-47(40)51-48-46(36-18-5-2-6-19-36)41-23-10-12-26-44(41)50(45)48/h1-32H
InChIKeyFRIQWMMXYGWOBG-UHFFFAOYSA-N
MW668.87 g/mol
LogP13.93
Rot. Bonds6

About N-[4-(11-phenylindolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine

N-[4-(11-phenylindolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine (PubChem CID 153475856) has the molecular formula C48H32N2S and a molecular weight of 668.87 g/mol. Its IUPAC name is N-[4-(11-phenylindolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-[4-(11-phenylindolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine
PubChem CID153475856
Molecular FormulaC48H32N2S
Molecular Weight668.87 g/mol
Exact Mass668.23
IUPAC NameN-[4-(11-phenylindolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cccc4c3sc3c(-c5ccccc5)c5ccccc5n34)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C48H32N2S/c1-3-15-33(16-4-1)38-22-9-11-25-42(38)49(43-27-13-20-34-17-7-8-21-39(34)43)37-31-29-35(30-32-37)40-24-14-28-45-47(40)51-48-46(36-18-5-2-6-19-36)41-23-10-12-26-44(41)50(45)48/h1-32H
InChIKeyFRIQWMMXYGWOBG-UHFFFAOYSA-N
XLogP13.93
TPSA7.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.87
LogP ≤ 513.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-11-phenyl-N-(4-phenylphenyl)indolo[2,1-b][1,3]benzothiazol-7-amine
CID 153475734
N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine
CID 139352798
N-[4-(3-carbazol-9-yl-2-phenylphenyl)phenyl]-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine
CID 170271578
N-[4-(2,3-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
CID 164831677
N-naphthalen-1-yl-6-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-4-amine
CID 164790605
N-(4-dibenzothiophen-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 172501487
N,N-diphenyl-4-(6-phenylindolo[2,3-b]indol-5-yl)aniline;N-[4-(6-phenylindolo[2,3-b]indol-5-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine;4-phenyl-N-[4-(6-phenylindolo[2,3-b]indol-5-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 158842849
4-phenyl-N-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 146508951
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 167322298
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine
CID 139339073
N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)triphenylen-1-amine
CID 167265707
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 167322665

Frequently Asked Questions

What is the IUPAC name of N-[4-(11-phenylindolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine?
The IUPAC name of N-[4-(11-phenylindolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine (CID 153475856) is N-[4-(11-phenylindolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-[4-(11-phenylindolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine?
The canonical SMILES for N-[4-(11-phenylindolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine is c1ccc(-c2ccccc2N(c2ccc(-c3cccc4c3sc3c(-c5ccccc5)c5ccccc5n34)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[4-(11-phenylindolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine?
The InChIKey is FRIQWMMXYGWOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2S/c1-3-15-33(16-4-1)38-22-9-11-25-42(38)49(43-27-13-20-34-17-7-8-21-39(34)43)37-31-29-35(30-32-37)40-24-14-28-45-47(40)51-48-46(36-18-5-2-6-19-36)41-23-10-12-26-44(41)50(45)48/h1-32H.
What are the key properties of N-[4-(11-phenylindolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine?
N-[4-(11-phenylindolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine has a molecular weight of 668.87 g/mol, XLogP of 13.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(11-phenylindolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 153475856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).