N-dibenzofuran-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-amine

C43H26N2OS2 — CID 171411564

IUPACN-dibenzofuran-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)sc3ccc5sc(-c6ccccc6)nc5c34)c3ccc4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C43H26N2OS2/c1-3-9-27(10-4-1)28-15-17-30(18-16-28)45(31-20-22-37-35(25-31)33-13-7-8-14-36(33)46-37)32-19-21-34-40(26-32)47-38-23-24-39-42(41(34)38)44-43(48-39)29-11-5-2-6-12-29/h1-26H
InChIKeyFIPHUELVTNESHE-UHFFFAOYSA-N
MW650.83 g/mol
LogP13.37
Rot. Bonds5

About N-dibenzofuran-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-amine

N-dibenzofuran-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-amine (PubChem CID 171411564) has the molecular formula C43H26N2OS2 and a molecular weight of 650.83 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-amine
PubChem CID171411564
Molecular FormulaC43H26N2OS2
Molecular Weight650.83 g/mol
Exact Mass650.15
IUPAC NameN-dibenzofuran-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)sc3ccc5sc(-c6ccccc6)nc5c34)c3ccc4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C43H26N2OS2/c1-3-9-27(10-4-1)28-15-17-30(18-16-28)45(31-20-22-37-35(25-31)33-13-7-8-14-36(33)46-37)32-19-21-34-40(26-32)47-38-23-24-39-42(41(34)38)44-43(48-39)29-11-5-2-6-12-29/h1-26H
InChIKeyFIPHUELVTNESHE-UHFFFAOYSA-N
XLogP13.37
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.83
LogP ≤ 513.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-dibenzofuran-2-yl-N-[4-(2-phenyl-[1]benzothiolo[3,2-e][1,3]benzothiazol-9-yl)phenyl]dibenzofuran-2-amine
CID 171411304
N-dibenzothiophen-2-yl-N-[4-(2-phenyl-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-yl)phenyl]dibenzofuran-3-amine
CID 171411363
N-dibenzothiophen-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-amine
CID 171411554
N-(3-dibenzofuran-4-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-amine
CID 171411343
6-N,18-N-di(dibenzofuran-2-yl)-6-N,18-N-bis(4-phenylphenyl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
CID 162475623
N-dibenzofuran-2-yl-2-phenyl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[3,2-e][1,3]benzothiazol-9-amine
CID 167125100
N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-yl)phenyl]dibenzothiophen-3-amine
CID 171412051
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-dibenzofuran-2-yl-N,2,6-triphenylnaphtho[1,2-e][1,3]benzothiazol-10-amine
CID 177112720
N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-e][1,3]benzothiazol-9-yl)phenyl]dibenzothiophen-3-amine
CID 171411640
N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazol-8-yl)phenyl]dibenzofuran-2-amine
CID 167124136
N-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazol-8-amine
CID 167123376

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-amine?
The IUPAC name of N-dibenzofuran-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-amine (CID 171411564) is N-dibenzofuran-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-amine?
The canonical SMILES for N-dibenzofuran-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)sc3ccc5sc(-c6ccccc6)nc5c34)c3ccc4oc5ccccc5c4c3)cc2)cc1.
What is the InChIKey of N-dibenzofuran-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-amine?
The InChIKey is FIPHUELVTNESHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N2OS2/c1-3-9-27(10-4-1)28-15-17-30(18-16-28)45(31-20-22-37-35(25-31)33-13-7-8-14-36(33)46-37)32-19-21-34-40(26-32)47-38-23-24-39-42(41(34)38)44-43(48-39)29-11-5-2-6-12-29/h1-26H.
What are the key properties of N-dibenzofuran-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-amine?
N-dibenzofuran-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-amine has a molecular weight of 650.83 g/mol, XLogP of 13.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-amine is sourced from PubChem (CID 171411564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).