2-N-(4-dibenzofuran-2-ylphenyl)-2-N-(3-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzothiophene-1,2-diamine

C58H38N2OS — CID 163861720

IUPAC2-N-(4-dibenzofuran-2-ylphenyl)-2-N-(3-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzothiophene-1,2-diamine
SMILESc1ccc(N(c2ccccc2)c2c(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3cccc(-c4ccc5ccccc5c4)c3)ccc3sc4ccccc4c23)cc1
InChIInChI=1S/C58H38N2OS/c1-3-17-45(18-4-1)60(46-19-5-2-6-20-46)58-52(33-35-56-57(58)50-23-10-12-25-55(50)62-56)59(48-21-13-16-42(37-48)43-27-26-39-14-7-8-15-41(39)36-43)47-31-28-40(29-32-47)44-30-34-54-51(38-44)49-22-9-11-24-53(49)61-54/h1-38H
InChIKeyPDCSIYYTUBRQEW-UHFFFAOYSA-N
MW811.02 g/mol
LogP17.38
Rot. Bonds8

About 2-N-(4-dibenzofuran-2-ylphenyl)-2-N-(3-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzothiophene-1,2-diamine

2-N-(4-dibenzofuran-2-ylphenyl)-2-N-(3-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzothiophene-1,2-diamine (PubChem CID 163861720) has the molecular formula C58H38N2OS and a molecular weight of 811.02 g/mol. Its IUPAC name is 2-N-(4-dibenzofuran-2-ylphenyl)-2-N-(3-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzothiophene-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-dibenzofuran-2-ylphenyl)-2-N-(3-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzothiophene-1,2-diamine
PubChem CID163861720
Molecular FormulaC58H38N2OS
Molecular Weight811.02 g/mol
Exact Mass810.27
IUPAC Name2-N-(4-dibenzofuran-2-ylphenyl)-2-N-(3-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzothiophene-1,2-diamine
SMILESc1ccc(N(c2ccccc2)c2c(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3cccc(-c4ccc5ccccc5c4)c3)ccc3sc4ccccc4c23)cc1
InChIInChI=1S/C58H38N2OS/c1-3-17-45(18-4-1)60(46-19-5-2-6-20-46)58-52(33-35-56-57(58)50-23-10-12-25-55(50)62-56)59(48-21-13-16-42(37-48)43-27-26-39-14-7-8-15-41(39)36-43)47-31-28-40(29-32-47)44-30-34-54-51(38-44)49-22-9-11-24-53(49)61-54/h1-38H
InChIKeyPDCSIYYTUBRQEW-UHFFFAOYSA-N
XLogP17.38
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.02
LogP ≤ 517.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)dibenzothiophen-1-amine
CID 164955040
bis(4-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylaniline);N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-3,5-diphenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)naphthalen-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline
CID 158888724
N-(2-dibenzofuran-2-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-2-ylaniline
CID 168767128
3-dibenzofuran-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 170535051
N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167325717
7-N-dibenzofuran-3-yl-7-N-(4-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzothiophene-1,7-diamine
CID 146574115
2-dibenzofuran-2-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 167325907
N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 155187018
N-[4-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)phenyl]-N-phenylnaphthalen-1-amine
CID 121383327
N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-3-amine
CID 163950326
3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170037052
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-1-amine
CID 167324059

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-dibenzofuran-2-ylphenyl)-2-N-(3-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzothiophene-1,2-diamine?
The IUPAC name of 2-N-(4-dibenzofuran-2-ylphenyl)-2-N-(3-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzothiophene-1,2-diamine (CID 163861720) is 2-N-(4-dibenzofuran-2-ylphenyl)-2-N-(3-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzothiophene-1,2-diamine.
What is the SMILES notation for 2-N-(4-dibenzofuran-2-ylphenyl)-2-N-(3-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzothiophene-1,2-diamine?
The canonical SMILES for 2-N-(4-dibenzofuran-2-ylphenyl)-2-N-(3-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzothiophene-1,2-diamine is c1ccc(N(c2ccccc2)c2c(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3cccc(-c4ccc5ccccc5c4)c3)ccc3sc4ccccc4c23)cc1.
What is the InChIKey of 2-N-(4-dibenzofuran-2-ylphenyl)-2-N-(3-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzothiophene-1,2-diamine?
The InChIKey is PDCSIYYTUBRQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2OS/c1-3-17-45(18-4-1)60(46-19-5-2-6-20-46)58-52(33-35-56-57(58)50-23-10-12-25-55(50)62-56)59(48-21-13-16-42(37-48)43-27-26-39-14-7-8-15-41(39)36-43)47-31-28-40(29-32-47)44-30-34-54-51(38-44)49-22-9-11-24-53(49)61-54/h1-38H.
What are the key properties of 2-N-(4-dibenzofuran-2-ylphenyl)-2-N-(3-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzothiophene-1,2-diamine?
2-N-(4-dibenzofuran-2-ylphenyl)-2-N-(3-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzothiophene-1,2-diamine has a molecular weight of 811.02 g/mol, XLogP of 17.38, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-dibenzofuran-2-ylphenyl)-2-N-(3-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzothiophene-1,2-diamine is sourced from PubChem (CID 163861720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).