N-dibenzofuran-2-yl-N-[4-(2-phenyl-[1]benzothiolo[3,2-e][1,3]benzothiazol-9-yl)phenyl]dibenzofuran-2-amine

C49H28N2O2S2 — CID 171411304

IUPACN-dibenzofuran-2-yl-N-[4-(2-phenyl-[1]benzothiolo[3,2-e][1,3]benzothiazol-9-yl)phenyl]dibenzofuran-2-amine
SMILESc1ccc(-c2nc3c(ccc4sc5ccc(-c6ccc(N(c7ccc8oc9ccccc9c8c7)c7ccc8oc9ccccc9c8c7)cc6)cc5c43)s2)cc1
InChIInChI=1S/C49H28N2O2S2/c1-2-8-30(9-3-1)49-50-48-46(55-49)25-24-45-47(48)39-26-31(16-23-44(39)54-45)29-14-17-32(18-15-29)51(33-19-21-42-37(27-33)35-10-4-6-12-40(35)52-42)34-20-22-43-38(28-34)36-11-5-7-13-41(36)53-43/h1-28H
InChIKeyCWIGEHLYGSOVEA-UHFFFAOYSA-N
MW740.91 g/mol
LogP15.27
Rot. Bonds5

About N-dibenzofuran-2-yl-N-[4-(2-phenyl-[1]benzothiolo[3,2-e][1,3]benzothiazol-9-yl)phenyl]dibenzofuran-2-amine

N-dibenzofuran-2-yl-N-[4-(2-phenyl-[1]benzothiolo[3,2-e][1,3]benzothiazol-9-yl)phenyl]dibenzofuran-2-amine (PubChem CID 171411304) has the molecular formula C49H28N2O2S2 and a molecular weight of 740.91 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-N-[4-(2-phenyl-[1]benzothiolo[3,2-e][1,3]benzothiazol-9-yl)phenyl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-N-[4-(2-phenyl-[1]benzothiolo[3,2-e][1,3]benzothiazol-9-yl)phenyl]dibenzofuran-2-amine
PubChem CID171411304
Molecular FormulaC49H28N2O2S2
Molecular Weight740.91 g/mol
Exact Mass740.16
IUPAC NameN-dibenzofuran-2-yl-N-[4-(2-phenyl-[1]benzothiolo[3,2-e][1,3]benzothiazol-9-yl)phenyl]dibenzofuran-2-amine
SMILESc1ccc(-c2nc3c(ccc4sc5ccc(-c6ccc(N(c7ccc8oc9ccccc9c8c7)c7ccc8oc9ccccc9c8c7)cc6)cc5c43)s2)cc1
InChIInChI=1S/C49H28N2O2S2/c1-2-8-30(9-3-1)49-50-48-46(55-49)25-24-45-47(48)39-26-31(16-23-44(39)54-45)29-14-17-32(18-15-29)51(33-19-21-42-37(27-33)35-10-4-6-12-40(35)52-42)34-20-22-43-38(28-34)36-11-5-7-13-41(36)53-43/h1-28H
InChIKeyCWIGEHLYGSOVEA-UHFFFAOYSA-N
XLogP15.27
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.91
LogP ≤ 515.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-dibenzofuran-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-amine
CID 171411564
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-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-e][1,3]benzothiazol-9-yl)phenyl]dibenzothiophen-3-amine
CID 171411640
N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-e][1,3]benzothiazol-9-yl)phenyl]aniline
CID 171411617
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-dibenzofuran-2-yl-2-phenyl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[3,2-e][1,3]benzothiazol-9-amine
CID 167125100
N-dibenzothiophen-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-amine
CID 171411554
N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-yl)phenyl]dibenzothiophen-3-amine
CID 171412051
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-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzothiazol-9-amine
CID 167123743
N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)-[1]benzothiolo[3,2-e][1,3]benzothiazol-9-amine
CID 171411539
N-phenyl-N-[4-(6-phenylphenanthro[9,10-d][1,3]thiazol-2-yl)phenyl]dibenzofuran-2-amine
CID 171747668

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-N-[4-(2-phenyl-[1]benzothiolo[3,2-e][1,3]benzothiazol-9-yl)phenyl]dibenzofuran-2-amine?
The IUPAC name of N-dibenzofuran-2-yl-N-[4-(2-phenyl-[1]benzothiolo[3,2-e][1,3]benzothiazol-9-yl)phenyl]dibenzofuran-2-amine (CID 171411304) is N-dibenzofuran-2-yl-N-[4-(2-phenyl-[1]benzothiolo[3,2-e][1,3]benzothiazol-9-yl)phenyl]dibenzofuran-2-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-N-[4-(2-phenyl-[1]benzothiolo[3,2-e][1,3]benzothiazol-9-yl)phenyl]dibenzofuran-2-amine?
The canonical SMILES for N-dibenzofuran-2-yl-N-[4-(2-phenyl-[1]benzothiolo[3,2-e][1,3]benzothiazol-9-yl)phenyl]dibenzofuran-2-amine is c1ccc(-c2nc3c(ccc4sc5ccc(-c6ccc(N(c7ccc8oc9ccccc9c8c7)c7ccc8oc9ccccc9c8c7)cc6)cc5c43)s2)cc1.
What is the InChIKey of N-dibenzofuran-2-yl-N-[4-(2-phenyl-[1]benzothiolo[3,2-e][1,3]benzothiazol-9-yl)phenyl]dibenzofuran-2-amine?
The InChIKey is CWIGEHLYGSOVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H28N2O2S2/c1-2-8-30(9-3-1)49-50-48-46(55-49)25-24-45-47(48)39-26-31(16-23-44(39)54-45)29-14-17-32(18-15-29)51(33-19-21-42-37(27-33)35-10-4-6-12-40(35)52-42)34-20-22-43-38(28-34)36-11-5-7-13-41(36)53-43/h1-28H.
What are the key properties of N-dibenzofuran-2-yl-N-[4-(2-phenyl-[1]benzothiolo[3,2-e][1,3]benzothiazol-9-yl)phenyl]dibenzofuran-2-amine?
N-dibenzofuran-2-yl-N-[4-(2-phenyl-[1]benzothiolo[3,2-e][1,3]benzothiazol-9-yl)phenyl]dibenzofuran-2-amine has a molecular weight of 740.91 g/mol, XLogP of 15.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-N-[4-(2-phenyl-[1]benzothiolo[3,2-e][1,3]benzothiazol-9-yl)phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 171411304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).