N-(4-naphthalen-1-ylphenyl)-11-phenyl-N-(4-phenylphenyl)indolo[2,1-b][1,3]benzothiazol-7-amine

C48H32N2S — CID 153475734

IUPACN-(4-naphthalen-1-ylphenyl)-11-phenyl-N-(4-phenylphenyl)indolo[2,1-b][1,3]benzothiazol-7-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4sc5c(-c6ccccc6)c6ccccc6n5c4c3)cc2)cc1
InChIInChI=1S/C48H32N2S/c1-3-12-33(13-4-1)34-22-26-38(27-23-34)49(39-28-24-36(25-29-39)42-20-11-17-35-14-7-8-18-41(35)42)40-30-31-46-45(32-40)50-44-21-10-9-19-43(44)47(48(50)51-46)37-15-5-2-6-16-37/h1-32H
InChIKeyCMVYIUWELRRCNI-UHFFFAOYSA-N
MW668.87 g/mol
LogP13.93
Rot. Bonds6

About N-(4-naphthalen-1-ylphenyl)-11-phenyl-N-(4-phenylphenyl)indolo[2,1-b][1,3]benzothiazol-7-amine

N-(4-naphthalen-1-ylphenyl)-11-phenyl-N-(4-phenylphenyl)indolo[2,1-b][1,3]benzothiazol-7-amine (PubChem CID 153475734) has the molecular formula C48H32N2S and a molecular weight of 668.87 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-11-phenyl-N-(4-phenylphenyl)indolo[2,1-b][1,3]benzothiazol-7-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-11-phenyl-N-(4-phenylphenyl)indolo[2,1-b][1,3]benzothiazol-7-amine
PubChem CID153475734
Molecular FormulaC48H32N2S
Molecular Weight668.87 g/mol
Exact Mass668.23
IUPAC NameN-(4-naphthalen-1-ylphenyl)-11-phenyl-N-(4-phenylphenyl)indolo[2,1-b][1,3]benzothiazol-7-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4sc5c(-c6ccccc6)c6ccccc6n5c4c3)cc2)cc1
InChIInChI=1S/C48H32N2S/c1-3-12-33(13-4-1)34-22-26-38(27-23-34)49(39-28-24-36(25-29-39)42-20-11-17-35-14-7-8-18-41(35)42)40-30-31-46-45(32-40)50-44-21-10-9-19-43(44)47(48(50)51-46)37-15-5-2-6-16-37/h1-32H
InChIKeyCMVYIUWELRRCNI-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-(11-phenylindolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine
CID 153475856
11-[4-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole
CID 164782249
N,N-bis(4-naphthalen-1-ylphenyl)-12-phenylindolo[1,2-b]isoquinolin-3-amine
CID 146508526
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-2-amine
CID 169063970
N-[4-(3,5-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 130353837
4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159367730
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 146578337
N-(4-naphthalen-1-ylphenyl)-3-phenyl-N,4-bis(4-phenylphenyl)aniline
CID 121477367
4-phenyl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 146509245
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 162491110
6-benzo[b]carbazol-5-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 167038052
N-(4-naphthalen-1-ylphenyl)-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-8-amine
CID 155034274

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-11-phenyl-N-(4-phenylphenyl)indolo[2,1-b][1,3]benzothiazol-7-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-11-phenyl-N-(4-phenylphenyl)indolo[2,1-b][1,3]benzothiazol-7-amine (CID 153475734) is N-(4-naphthalen-1-ylphenyl)-11-phenyl-N-(4-phenylphenyl)indolo[2,1-b][1,3]benzothiazol-7-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-11-phenyl-N-(4-phenylphenyl)indolo[2,1-b][1,3]benzothiazol-7-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-11-phenyl-N-(4-phenylphenyl)indolo[2,1-b][1,3]benzothiazol-7-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4sc5c(-c6ccccc6)c6ccccc6n5c4c3)cc2)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-11-phenyl-N-(4-phenylphenyl)indolo[2,1-b][1,3]benzothiazol-7-amine?
The InChIKey is CMVYIUWELRRCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2S/c1-3-12-33(13-4-1)34-22-26-38(27-23-34)49(39-28-24-36(25-29-39)42-20-11-17-35-14-7-8-18-41(35)42)40-30-31-46-45(32-40)50-44-21-10-9-19-43(44)47(48(50)51-46)37-15-5-2-6-16-37/h1-32H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-11-phenyl-N-(4-phenylphenyl)indolo[2,1-b][1,3]benzothiazol-7-amine?
N-(4-naphthalen-1-ylphenyl)-11-phenyl-N-(4-phenylphenyl)indolo[2,1-b][1,3]benzothiazol-7-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-naphthalen-1-ylphenyl)-11-phenyl-N-(4-phenylphenyl)indolo[2,1-b][1,3]benzothiazol-7-amine is sourced from PubChem (CID 153475734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).