N-dibenzothiophen-2-yl-N-[2-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-5-yl)phenyl]dibenzofuran-3-amine

C55H32N2O2S2 — CID 167128455

IUPACN-dibenzothiophen-2-yl-N-[2-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-5-yl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2nc3cc4oc5cccc(-c6ccc(N(c7ccc8c(c7)oc7ccccc78)c7ccc8sc9ccccc9c8c7)c(-c7ccccc7)c6)c5c4cc3s2)cc1
InChIInChI=1S/C55H32N2O2S2/c1-3-12-33(13-4-1)42-28-35(38-18-11-20-48-54(38)44-31-53-45(32-50(44)59-48)56-55(61-53)34-14-5-2-6-15-34)22-26-46(42)57(36-24-27-52-43(29-36)41-17-8-10-21-51(41)60-52)37-23-25-40-39-16-7-9-19-47(39)58-49(40)30-37/h1-32H
InChIKeyRKNFINHIMVAYIG-UHFFFAOYSA-N
MW817.01 g/mol
LogP16.93
Rot. Bonds6

About N-dibenzothiophen-2-yl-N-[2-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-5-yl)phenyl]dibenzofuran-3-amine

N-dibenzothiophen-2-yl-N-[2-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-5-yl)phenyl]dibenzofuran-3-amine (PubChem CID 167128455) has the molecular formula C55H32N2O2S2 and a molecular weight of 817.01 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-N-[2-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-5-yl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-N-[2-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-5-yl)phenyl]dibenzofuran-3-amine
PubChem CID167128455
Molecular FormulaC55H32N2O2S2
Molecular Weight817.01 g/mol
Exact Mass816.19
IUPAC NameN-dibenzothiophen-2-yl-N-[2-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-5-yl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2nc3cc4oc5cccc(-c6ccc(N(c7ccc8c(c7)oc7ccccc78)c7ccc8sc9ccccc9c8c7)c(-c7ccccc7)c6)c5c4cc3s2)cc1
InChIInChI=1S/C55H32N2O2S2/c1-3-12-33(13-4-1)42-28-35(38-18-11-20-48-54(38)44-31-53-45(32-50(44)59-48)56-55(61-53)34-14-5-2-6-15-34)22-26-46(42)57(36-24-27-52-43(29-36)41-17-8-10-21-51(41)60-52)37-23-25-40-39-16-7-9-19-47(39)58-49(40)30-37/h1-32H
InChIKeyRKNFINHIMVAYIG-UHFFFAOYSA-N
XLogP16.93
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.01
LogP ≤ 516.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,2-diphenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-7-yl)-N-(4-phenylphenyl)aniline
CID 167127386
N-dibenzothiophen-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-3-amine
CID 167235675
N-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-6-phenyldibenzofuran-4-amine
CID 167396373
N-[4-[4-(N-dibenzothiophen-2-ylanilino)naphthalen-1-yl]phenyl]-N-phenyldibenzofuran-3-amine
CID 153299753
5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzothiazole
CID 167129045
N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]-N-phenyldibenzothiophen-2-amine
CID 170383559
N-(4-dibenzofuran-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzothiazol-8-amine
CID 167124225
N-(3-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine
CID 165073444
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129119904
N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-5-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine
CID 167127743
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-(3-dibenzofuran-3-yl-2-phenylphenyl)-N-naphthalen-2-yldibenzothiophen-2-amine
CID 170665599

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-N-[2-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-5-yl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-dibenzothiophen-2-yl-N-[2-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-5-yl)phenyl]dibenzofuran-3-amine (CID 167128455) is N-dibenzothiophen-2-yl-N-[2-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-5-yl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-N-[2-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-5-yl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-N-[2-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-5-yl)phenyl]dibenzofuran-3-amine is c1ccc(-c2nc3cc4oc5cccc(-c6ccc(N(c7ccc8c(c7)oc7ccccc78)c7ccc8sc9ccccc9c8c7)c(-c7ccccc7)c6)c5c4cc3s2)cc1.
What is the InChIKey of N-dibenzothiophen-2-yl-N-[2-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-5-yl)phenyl]dibenzofuran-3-amine?
The InChIKey is RKNFINHIMVAYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H32N2O2S2/c1-3-12-33(13-4-1)42-28-35(38-18-11-20-48-54(38)44-31-53-45(32-50(44)59-48)56-55(61-53)34-14-5-2-6-15-34)22-26-46(42)57(36-24-27-52-43(29-36)41-17-8-10-21-51(41)60-52)37-23-25-40-39-16-7-9-19-47(39)58-49(40)30-37/h1-32H.
What are the key properties of N-dibenzothiophen-2-yl-N-[2-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-5-yl)phenyl]dibenzofuran-3-amine?
N-dibenzothiophen-2-yl-N-[2-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-5-yl)phenyl]dibenzofuran-3-amine has a molecular weight of 817.01 g/mol, XLogP of 16.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-2-yl-N-[2-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-5-yl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 167128455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).