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

C49H30N2O2S — CID 167125100

IUPACN-dibenzofuran-2-yl-2-phenyl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[3,2-e][1,3]benzothiazol-9-amine
SMILESc1ccc(-c2nc3c(ccc4oc5ccc(N(c6ccc(-c7ccccc7-c7ccccc7)cc6)c6ccc7oc8ccccc8c7c6)cc5c43)s2)cc1
InChIInChI=1S/C49H30N2O2S/c1-3-11-31(12-4-1)37-15-7-8-16-38(37)32-19-21-34(22-20-32)51(35-23-25-43-40(29-35)39-17-9-10-18-42(39)52-43)36-24-26-44-41(30-36)47-45(53-44)27-28-46-48(47)50-49(54-46)33-13-5-2-6-14-33/h1-30H
InChIKeyVKGHENTXZAWMEK-UHFFFAOYSA-N
MW710.86 g/mol
LogP14.57
Rot. Bonds6

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

N-dibenzofuran-2-yl-2-phenyl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[3,2-e][1,3]benzothiazol-9-amine (PubChem CID 167125100) has the molecular formula C49H30N2O2S and a molecular weight of 710.86 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-2-phenyl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[3,2-e][1,3]benzothiazol-9-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-2-phenyl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[3,2-e][1,3]benzothiazol-9-amine
PubChem CID167125100
Molecular FormulaC49H30N2O2S
Molecular Weight710.86 g/mol
Exact Mass710.20
IUPAC NameN-dibenzofuran-2-yl-2-phenyl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[3,2-e][1,3]benzothiazol-9-amine
SMILESc1ccc(-c2nc3c(ccc4oc5ccc(N(c6ccc(-c7ccccc7-c7ccccc7)cc6)c6ccc7oc8ccccc8c7c6)cc5c43)s2)cc1
InChIInChI=1S/C49H30N2O2S/c1-3-11-31(12-4-1)37-15-7-8-16-38(37)32-19-21-34(22-20-32)51(35-23-25-43-40(29-35)39-17-9-10-18-42(39)52-43)36-24-26-44-41(30-36)47-45(53-44)27-28-46-48(47)50-49(54-46)33-13-5-2-6-14-33/h1-30H
InChIKeyVKGHENTXZAWMEK-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-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazol-8-amine
CID 167123376
N-dibenzofuran-2-yl-N,2,6-triphenylnaphtho[1,2-e][1,3]benzothiazol-10-amine
CID 177112720
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-dibenzofuran-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzothiazol-8-amine
CID 167124225
N-dibenzofuran-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-amine
CID 171411564
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-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzothiazol-9-amine
CID 167123743
N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazol-8-amine
CID 167123381
N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazol-9-yl)phenyl]dibenzofuran-4-amine
CID 167124911
N-phenyl-N-[4-(6-phenylphenanthro[9,10-d][1,3]thiazol-2-yl)phenyl]dibenzofuran-2-amine
CID 171747668
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
N-(3-dibenzofuran-4-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-amine
CID 171411343

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-2-phenyl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[3,2-e][1,3]benzothiazol-9-amine?
The IUPAC name of N-dibenzofuran-2-yl-2-phenyl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[3,2-e][1,3]benzothiazol-9-amine (CID 167125100) is N-dibenzofuran-2-yl-2-phenyl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[3,2-e][1,3]benzothiazol-9-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-2-phenyl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[3,2-e][1,3]benzothiazol-9-amine?
The canonical SMILES for N-dibenzofuran-2-yl-2-phenyl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[3,2-e][1,3]benzothiazol-9-amine is c1ccc(-c2nc3c(ccc4oc5ccc(N(c6ccc(-c7ccccc7-c7ccccc7)cc6)c6ccc7oc8ccccc8c7c6)cc5c43)s2)cc1.
What is the InChIKey of N-dibenzofuran-2-yl-2-phenyl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[3,2-e][1,3]benzothiazol-9-amine?
The InChIKey is VKGHENTXZAWMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N2O2S/c1-3-11-31(12-4-1)37-15-7-8-16-38(37)32-19-21-34(22-20-32)51(35-23-25-43-40(29-35)39-17-9-10-18-42(39)52-43)36-24-26-44-41(30-36)47-45(53-44)27-28-46-48(47)50-49(54-46)33-13-5-2-6-14-33/h1-30H.
What are the key properties of N-dibenzofuran-2-yl-2-phenyl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[3,2-e][1,3]benzothiazol-9-amine?
N-dibenzofuran-2-yl-2-phenyl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[3,2-e][1,3]benzothiazol-9-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-dibenzofuran-2-yl-2-phenyl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[3,2-e][1,3]benzothiazol-9-amine is sourced from PubChem (CID 167125100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).