7-N-dibenzofuran-3-yl-7-N-(4-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzothiophene-1,7-diamine

C52H34N2OS — CID 146574115

IUPAC7-N-dibenzofuran-3-yl-7-N-(4-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzothiophene-1,7-diamine
SMILESc1ccc(N(c2ccccc2)c2cccc3sc4cc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccc6c(c5)oc5ccccc56)ccc4c23)cc1
InChIInChI=1S/C52H34N2OS/c1-3-14-39(15-4-1)54(40-16-5-2-6-17-40)47-19-11-21-50-52(47)46-31-29-43(34-51(46)56-50)53(42-28-30-45-44-18-9-10-20-48(44)55-49(45)33-42)41-26-24-36(25-27-41)38-23-22-35-12-7-8-13-37(35)32-38/h1-34H
InChIKeyUBSSTGYOGHNWKK-UHFFFAOYSA-N
MW734.92 g/mol
LogP15.71
Rot. Bonds7

About 7-N-dibenzofuran-3-yl-7-N-(4-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzothiophene-1,7-diamine

7-N-dibenzofuran-3-yl-7-N-(4-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzothiophene-1,7-diamine (PubChem CID 146574115) has the molecular formula C52H34N2OS and a molecular weight of 734.92 g/mol. Its IUPAC name is 7-N-dibenzofuran-3-yl-7-N-(4-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzothiophene-1,7-diamine.

Molecular Properties

Compound Name7-N-dibenzofuran-3-yl-7-N-(4-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzothiophene-1,7-diamine
PubChem CID146574115
Molecular FormulaC52H34N2OS
Molecular Weight734.92 g/mol
Exact Mass734.24
IUPAC Name7-N-dibenzofuran-3-yl-7-N-(4-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzothiophene-1,7-diamine
SMILESc1ccc(N(c2ccccc2)c2cccc3sc4cc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccc6c(c5)oc5ccccc56)ccc4c23)cc1
InChIInChI=1S/C52H34N2OS/c1-3-14-39(15-4-1)54(40-16-5-2-6-17-40)47-19-11-21-50-52(47)46-31-29-43(34-51(46)56-50)53(42-28-30-45-44-18-9-10-20-48(44)55-49(45)33-42)41-26-24-36(25-27-41)38-23-22-35-12-7-8-13-37(35)32-38/h1-34H
InChIKeyUBSSTGYOGHNWKK-UHFFFAOYSA-N
XLogP15.71
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.92
LogP ≤ 515.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-dibenzofuran-3-yl-7-N,7-N-diphenyl-1-N-(4-phenylphenyl)dibenzothiophene-1,7-diamine
CID 146574153
1-N-dibenzofuran-3-yl-6-N,6-N-diphenyl-1-N-(4-phenylphenyl)dibenzothiophene-1,6-diamine;1-N-dibenzofuran-3-yl-1-N-(4-naphthalen-2-ylphenyl)-6-N,6-N-diphenyldibenzothiophene-1,6-diamine
CID 158546525
7-N-dibenzothiophen-1-yl-7-N-naphthalen-2-yl-2-N,2-N-diphenyldibenzofuran-2,7-diamine
CID 155172930
8-N-dibenzofuran-3-yl-8-N-(4-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzofuran-1,8-diamine
CID 146573619
N-dibenzothiophen-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 163686453
N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167325717
7-N-dibenzothiophen-3-yl-2-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,7-diamine;7-N-dibenzothiophen-3-yl-7-N-(4-naphthalen-2-ylphenyl)-3-N,3-N-diphenyldibenzofuran-3,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine
CID 158872648
N-(4-naphthalen-1-ylphenyl)-N-[4-(7-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine;N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine;N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 159106668
N-dibenzothiophen-1-yl-N-(4-triphenylen-2-ylphenyl)dibenzofuran-3-amine
CID 163564489
8-N-dibenzofuran-3-yl-8-N-(4-naphthalen-2-ylphenyl)-2-N,2-N-diphenyldibenzofuran-2,8-diamine
CID 146576029
N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)dibenzothiophen-1-amine
CID 164955040
1-N-dibenzofuran-3-yl-1-N,8-N,8-N-triphenyldibenzothiophene-1,8-diamine
CID 146580399

Frequently Asked Questions

What is the IUPAC name of 7-N-dibenzofuran-3-yl-7-N-(4-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzothiophene-1,7-diamine?
The IUPAC name of 7-N-dibenzofuran-3-yl-7-N-(4-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzothiophene-1,7-diamine (CID 146574115) is 7-N-dibenzofuran-3-yl-7-N-(4-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzothiophene-1,7-diamine.
What is the SMILES notation for 7-N-dibenzofuran-3-yl-7-N-(4-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzothiophene-1,7-diamine?
The canonical SMILES for 7-N-dibenzofuran-3-yl-7-N-(4-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzothiophene-1,7-diamine is c1ccc(N(c2ccccc2)c2cccc3sc4cc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccc6c(c5)oc5ccccc56)ccc4c23)cc1.
What is the InChIKey of 7-N-dibenzofuran-3-yl-7-N-(4-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzothiophene-1,7-diamine?
The InChIKey is UBSSTGYOGHNWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2OS/c1-3-14-39(15-4-1)54(40-16-5-2-6-17-40)47-19-11-21-50-52(47)46-31-29-43(34-51(46)56-50)53(42-28-30-45-44-18-9-10-20-48(44)55-49(45)33-42)41-26-24-36(25-27-41)38-23-22-35-12-7-8-13-37(35)32-38/h1-34H.
What are the key properties of 7-N-dibenzofuran-3-yl-7-N-(4-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzothiophene-1,7-diamine?
7-N-dibenzofuran-3-yl-7-N-(4-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzothiophene-1,7-diamine has a molecular weight of 734.92 g/mol, XLogP of 15.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-dibenzofuran-3-yl-7-N-(4-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzothiophene-1,7-diamine is sourced from PubChem (CID 146574115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).