2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzothiazol-7-amine

C43H28N2OS — CID 167124268

IUPAC2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzothiazol-7-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4c3oc3ccc5sc(-c6ccccc6)nc5c34)cc2)cc1
InChIInChI=1S/C43H28N2OS/c1-4-12-29(13-5-1)31-22-24-34(25-23-31)45(35-19-10-18-33(28-35)30-14-6-2-7-15-30)37-21-11-20-36-40-38(46-42(36)37)26-27-39-41(40)44-43(47-39)32-16-8-3-9-17-32/h1-28H
InChIKeyFAXPIHSYVPJXEC-UHFFFAOYSA-N
MW620.78 g/mol
LogP12.67
Rot. Bonds6

About 2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzothiazol-7-amine

2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzothiazol-7-amine (PubChem CID 167124268) has the molecular formula C43H28N2OS and a molecular weight of 620.78 g/mol. Its IUPAC name is 2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzothiazol-7-amine.

Molecular Properties

Compound Name2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzothiazol-7-amine
PubChem CID167124268
Molecular FormulaC43H28N2OS
Molecular Weight620.78 g/mol
Exact Mass620.19
IUPAC Name2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzothiazol-7-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4c3oc3ccc5sc(-c6ccccc6)nc5c34)cc2)cc1
InChIInChI=1S/C43H28N2OS/c1-4-12-29(13-5-1)31-22-24-34(25-23-31)45(35-19-10-18-33(28-35)30-14-6-2-7-15-30)37-21-11-20-36-40-38(46-42(36)37)26-27-39-41(40)44-43(47-39)32-16-8-3-9-17-32/h1-28H
InChIKeyFAXPIHSYVPJXEC-UHFFFAOYSA-N
XLogP12.67
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.78
LogP ≤ 512.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazol-9-yl)phenyl]dibenzofuran-4-amine
CID 167124911
N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazol-8-amine
CID 167123381
N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzothiazol-9-amine
CID 167123743
N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine
CID 130289869
N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 167086684
3-dibenzofuran-4-yl-N-[4-(2-phenyl-[1]benzothiolo[3,2-e][1,3]benzothiazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 171411885
N-(3-dibenzofuran-4-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-amine
CID 171411343
3-dibenzofuran-4-yl-N-[4-(2-phenyl-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 171411656
N-[3-[4-[3-(N-dibenzofuran-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 71126918
N,4-diphenyl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]aniline;N-naphthalen-1-yl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]naphthalen-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-yl]phenyl]aniline
CID 159412257
N-(4-dibenzofuran-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzothiazol-8-amine
CID 167124225
N,4-diphenyl-N-(6-phenylnaphthalen-2-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 177130990

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzothiazol-7-amine?
The IUPAC name of 2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzothiazol-7-amine (CID 167124268) is 2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzothiazol-7-amine.
What is the SMILES notation for 2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzothiazol-7-amine?
The canonical SMILES for 2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzothiazol-7-amine is c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4c3oc3ccc5sc(-c6ccccc6)nc5c34)cc2)cc1.
What is the InChIKey of 2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzothiazol-7-amine?
The InChIKey is FAXPIHSYVPJXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2OS/c1-4-12-29(13-5-1)31-22-24-34(25-23-31)45(35-19-10-18-33(28-35)30-14-6-2-7-15-30)37-21-11-20-36-40-38(46-42(36)37)26-27-39-41(40)44-43(47-39)32-16-8-3-9-17-32/h1-28H.
What are the key properties of 2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzothiazol-7-amine?
2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzothiazol-7-amine has a molecular weight of 620.78 g/mol, XLogP of 12.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzothiazol-7-amine is sourced from PubChem (CID 167124268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).