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

C49H30N2O2S — CID 167124248

IUPACN-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-8-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2nc3ccc4oc5cc(-c6ccc(N(c7ccc8c(c7)oc7ccccc78)c7ccccc7-c7ccccc7)cc6)ccc5c4c3s2)cc1
InChIInChI=1S/C49H30N2O2S/c1-3-11-32(12-4-1)37-15-7-9-17-42(37)51(36-24-26-39-38-16-8-10-18-43(38)52-46(39)30-36)35-22-19-31(20-23-35)34-21-25-40-45(29-34)53-44-28-27-41-48(47(40)44)54-49(50-41)33-13-5-2-6-14-33/h1-30H
InChIKeyDABQXVQAFGEIJL-UHFFFAOYSA-N
MW710.86 g/mol
LogP14.57
Rot. Bonds6

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

N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-8-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine (PubChem CID 167124248) has the molecular formula C49H30N2O2S and a molecular weight of 710.86 g/mol. Its IUPAC name is N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-8-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-8-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine
PubChem CID167124248
Molecular FormulaC49H30N2O2S
Molecular Weight710.86 g/mol
Exact Mass710.20
IUPAC NameN-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-8-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2nc3ccc4oc5cc(-c6ccc(N(c7ccc8c(c7)oc7ccccc78)c7ccccc7-c7ccccc7)cc6)ccc5c4c3s2)cc1
InChIInChI=1S/C49H30N2O2S/c1-3-11-32(12-4-1)37-15-7-9-17-42(37)51(36-24-26-39-38-16-8-10-18-43(38)52-46(39)30-36)35-22-19-31(20-23-35)34-21-25-40-45(29-34)53-44-28-27-41-48(47(40)44)54-49(50-41)33-13-5-2-6-14-33/h1-30H
InChIKeyDABQXVQAFGEIJL-UHFFFAOYSA-N
XLogP14.57
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.86
LogP ≤ 514.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-yl)phenyl]aniline
CID 167123156
N-dibenzofuran-2-yl-2-phenyl-N-(2-phenylphenyl)naphtho[2,1-g][1,3]benzothiazol-10-amine
CID 171607722
N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzothiazol-8-amine
CID 167124499
N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 174322022
N-(4-naphthalen-1-yl-3-phenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzothiazol-8-amine
CID 167123529
N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline
CID 138651234
N-[4-(2-phenylnaphtho[2,1-g][1,3]benzothiazol-10-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 163531412
N-[2-[2-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 167086852
N-dibenzofuran-4-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine
CID 167124154
N-dibenzofuran-2-yl-N-(3,4-diphenylphenyl)-2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazol-7-amine
CID 171412044
N,N-di(dibenzofuran-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine
CID 167124156
N-dibenzofuran-3-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-5-amine
CID 167125064

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-8-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-8-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine (CID 167124248) is N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-8-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-8-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-8-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine is c1ccc(-c2nc3ccc4oc5cc(-c6ccc(N(c7ccc8c(c7)oc7ccccc78)c7ccccc7-c7ccccc7)cc6)ccc5c4c3s2)cc1.
What is the InChIKey of N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-8-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is DABQXVQAFGEIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N2O2S/c1-3-11-32(12-4-1)37-15-7-9-17-42(37)51(36-24-26-39-38-16-8-10-18-43(38)52-46(39)30-36)35-22-19-31(20-23-35)34-21-25-40-45(29-34)53-44-28-27-41-48(47(40)44)54-49(50-41)33-13-5-2-6-14-33/h1-30H.
What are the key properties of N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-8-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine?
N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-8-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 710.86 g/mol, XLogP of 14.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-8-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 167124248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).