6-(9-dibenzothiophen-1-yldibenzofuran-1-yl)-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine

C52H31NO2S — CID 174244694

IUPAC6-(9-dibenzothiophen-1-yldibenzofuran-1-yl)-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine
SMILESc1ccc(N(c2ccc3ccccc3c2)c2cccc3c2oc2c(-c4cccc5oc6cccc(-c7cccc8sc9ccccc9c78)c6c45)cccc23)cc1
InChIInChI=1S/C52H31NO2S/c1-2-15-34(16-3-1)53(35-30-29-32-13-4-5-14-33(32)31-35)43-24-9-23-41-40-22-8-21-39(51(40)55-52(41)43)38-19-11-26-45-50(38)49-37(18-10-25-44(49)54-45)36-20-12-28-47-48(36)42-17-6-7-27-46(42)56-47/h1-31H
InChIKeyDRIKPSNSQUHRHC-UHFFFAOYSA-N
MW733.89 g/mol
LogP15.81
Rot. Bonds5

About 6-(9-dibenzothiophen-1-yldibenzofuran-1-yl)-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine

6-(9-dibenzothiophen-1-yldibenzofuran-1-yl)-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine (PubChem CID 174244694) has the molecular formula C52H31NO2S and a molecular weight of 733.89 g/mol. Its IUPAC name is 6-(9-dibenzothiophen-1-yldibenzofuran-1-yl)-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine.

Molecular Properties

Compound Name6-(9-dibenzothiophen-1-yldibenzofuran-1-yl)-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine
PubChem CID174244694
Molecular FormulaC52H31NO2S
Molecular Weight733.89 g/mol
Exact Mass733.21
IUPAC Name6-(9-dibenzothiophen-1-yldibenzofuran-1-yl)-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine
SMILESc1ccc(N(c2ccc3ccccc3c2)c2cccc3c2oc2c(-c4cccc5oc6cccc(-c7cccc8sc9ccccc9c78)c6c45)cccc23)cc1
InChIInChI=1S/C52H31NO2S/c1-2-15-34(16-3-1)53(35-30-29-32-13-4-5-14-33(32)31-35)43-24-9-23-41-40-22-8-21-39(51(40)55-52(41)43)38-19-11-26-45-50(38)49-37(18-10-25-44(49)54-45)36-20-12-28-47-48(36)42-17-6-7-27-46(42)56-47/h1-31H
InChIKeyDRIKPSNSQUHRHC-UHFFFAOYSA-N
XLogP15.81
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.89
LogP ≤ 515.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(9-dibenzothiophen-1-yldibenzothiophen-2-yl)-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine
CID 174244658
N-naphthalen-2-yl-N-phenyl-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine
CID 164995240
N-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzothiophen-1-amine
CID 167324123
N-dibenzothiophen-2-yl-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396444
N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)naphthalen-2-amine
CID 170676864
N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-2-ylaniline
CID 168767555
N,N-bis(4-naphthalen-2-ylphenyl)-2-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)aniline
CID 164988381
N-dibenzofuran-4-yl-1-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine
CID 176853583
N-(3-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-4-amine
CID 164987719
N-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
CID 167397227
N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167325717
N-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-naphthalen-2-yldibenzofuran-4-amine
CID 177082246

Frequently Asked Questions

What is the IUPAC name of 6-(9-dibenzothiophen-1-yldibenzofuran-1-yl)-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine?
The IUPAC name of 6-(9-dibenzothiophen-1-yldibenzofuran-1-yl)-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine (CID 174244694) is 6-(9-dibenzothiophen-1-yldibenzofuran-1-yl)-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine.
What is the SMILES notation for 6-(9-dibenzothiophen-1-yldibenzofuran-1-yl)-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine?
The canonical SMILES for 6-(9-dibenzothiophen-1-yldibenzofuran-1-yl)-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine is c1ccc(N(c2ccc3ccccc3c2)c2cccc3c2oc2c(-c4cccc5oc6cccc(-c7cccc8sc9ccccc9c78)c6c45)cccc23)cc1.
What is the InChIKey of 6-(9-dibenzothiophen-1-yldibenzofuran-1-yl)-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine?
The InChIKey is DRIKPSNSQUHRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31NO2S/c1-2-15-34(16-3-1)53(35-30-29-32-13-4-5-14-33(32)31-35)43-24-9-23-41-40-22-8-21-39(51(40)55-52(41)43)38-19-11-26-45-50(38)49-37(18-10-25-44(49)54-45)36-20-12-28-47-48(36)42-17-6-7-27-46(42)56-47/h1-31H.
What are the key properties of 6-(9-dibenzothiophen-1-yldibenzofuran-1-yl)-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine?
6-(9-dibenzothiophen-1-yldibenzofuran-1-yl)-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine has a molecular weight of 733.89 g/mol, XLogP of 15.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9-dibenzothiophen-1-yldibenzofuran-1-yl)-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine is sourced from PubChem (CID 174244694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).