4-naphthalen-1-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-8-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine

C57H36N2OS — CID 167130187

IUPAC4-naphthalen-1-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-8-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2nc3cc4c(cc3s2)oc2c(-c3ccc(N(c5ccccc5-c5ccccc5)c5ccc(-c6cccc7ccccc67)c6ccccc56)cc3)cccc24)cc1
InChIInChI=1S/C57H36N2OS/c1-3-15-38(16-4-1)43-22-11-12-28-52(43)59(53-34-33-47(46-23-9-10-24-48(46)53)45-26-13-20-37-17-7-8-21-42(37)45)41-31-29-39(30-32-41)44-25-14-27-49-50-35-51-55(36-54(50)60-56(44)49)61-57(58-51)40-18-5-2-6-19-40/h1-36H
InChIKeyZWSDRHRJTFORCK-UHFFFAOYSA-N
MW797.00 g/mol
LogP16.64
Rot. Bonds7

About 4-naphthalen-1-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-8-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine

4-naphthalen-1-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-8-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine (PubChem CID 167130187) has the molecular formula C57H36N2OS and a molecular weight of 797.00 g/mol. Its IUPAC name is 4-naphthalen-1-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-8-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine.

Molecular Properties

Compound Name4-naphthalen-1-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-8-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine
PubChem CID167130187
Molecular FormulaC57H36N2OS
Molecular Weight797.00 g/mol
Exact Mass796.25
IUPAC Name4-naphthalen-1-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-8-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2nc3cc4c(cc3s2)oc2c(-c3ccc(N(c5ccccc5-c5ccccc5)c5ccc(-c6cccc7ccccc67)c6ccccc56)cc3)cccc24)cc1
InChIInChI=1S/C57H36N2OS/c1-3-15-38(16-4-1)43-22-11-12-28-52(43)59(53-34-33-47(46-23-9-10-24-48(46)53)45-26-13-20-37-17-7-8-21-42(37)45)41-31-29-39(30-32-41)44-25-14-27-49-50-35-51-55(36-54(50)60-56(44)49)61-57(58-51)40-18-5-2-6-19-40/h1-36H
InChIKeyZWSDRHRJTFORCK-UHFFFAOYSA-N
XLogP16.64
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.00
LogP ≤ 516.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-naphthalen-1-ylnaphthalen-1-yl)-2-phenyl-N-(2-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzothiazol-8-amine
CID 167127986
N,N-bis(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-8-amine
CID 167129483
4-naphthalen-2-yl-N-[4-(2-naphthalen-2-yl-[1]benzofuro[2,3-f][1,3]benzothiazol-8-yl)phenyl]-N-phenylaniline
CID 167127075
N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-1-amine
CID 170676822
N-(4-dibenzofuran-4-ylphenyl)-N-(2-naphthalen-1-ylphenyl)-2-(3-naphthalen-1-ylphenyl)aniline
CID 155374438
5-naphthalen-1-yl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 155423502
N-(4-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine
CID 167277315
N-(2-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-8-amine
CID 167127217
2-dibenzofuran-3-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]aniline
CID 167325381
2-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 126709649
N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-1-yl-N-[2-(2-naphthalen-1-ylphenyl)phenyl]aniline
CID 167326359
N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenylnaphtho[1,2-g][1,3]benzothiazol-6-amine
CID 174294431

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-8-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine?
The IUPAC name of 4-naphthalen-1-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-8-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine (CID 167130187) is 4-naphthalen-1-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-8-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine.
What is the SMILES notation for 4-naphthalen-1-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-8-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine?
The canonical SMILES for 4-naphthalen-1-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-8-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine is c1ccc(-c2nc3cc4c(cc3s2)oc2c(-c3ccc(N(c5ccccc5-c5ccccc5)c5ccc(-c6cccc7ccccc67)c6ccccc56)cc3)cccc24)cc1.
What is the InChIKey of 4-naphthalen-1-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-8-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine?
The InChIKey is ZWSDRHRJTFORCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N2OS/c1-3-15-38(16-4-1)43-22-11-12-28-52(43)59(53-34-33-47(46-23-9-10-24-48(46)53)45-26-13-20-37-17-7-8-21-42(37)45)41-31-29-39(30-32-41)44-25-14-27-49-50-35-51-55(36-54(50)60-56(44)49)61-57(58-51)40-18-5-2-6-19-40/h1-36H.
What are the key properties of 4-naphthalen-1-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-8-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine?
4-naphthalen-1-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-8-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine has a molecular weight of 797.00 g/mol, XLogP of 16.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-8-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 167130187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).