4-(6-dibenzofuran-3-ylnaphthalen-2-yl)-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)aniline

C64H39NO2S — CID 164835642

IUPAC4-(6-dibenzofuran-3-ylnaphthalen-2-yl)-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)aniline
SMILESc1ccc2c(c1)oc1cc(-c3ccc4cc(-c5ccc(N(c6ccc(-c7cccc8oc9ccccc9c78)cc6)c6ccc(-c7cccc8sc9ccccc9c78)cc6)cc5)ccc4c3)ccc12
InChIInChI=1S/C64H39NO2S/c1-4-14-57-53(9-1)54-36-29-47(39-60(54)67-57)46-22-21-44-37-43(19-20-45(44)38-46)40-23-30-48(31-24-40)65(49-32-25-41(26-33-49)51-12-7-16-59-63(51)55-10-2-5-15-58(55)66-59)50-34-27-42(28-35-50)52-13-8-18-62-64(52)56-11-3-6-17-61(56)68-62/h1-39H
InChIKeyVUGPQCPAEKSTKN-UHFFFAOYSA-N
MW886.09 g/mol
LogP19.14
Rot. Bonds7

About 4-(6-dibenzofuran-3-ylnaphthalen-2-yl)-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)aniline

4-(6-dibenzofuran-3-ylnaphthalen-2-yl)-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)aniline (PubChem CID 164835642) has the molecular formula C64H39NO2S and a molecular weight of 886.09 g/mol. Its IUPAC name is 4-(6-dibenzofuran-3-ylnaphthalen-2-yl)-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)aniline.

Molecular Properties

Compound Name4-(6-dibenzofuran-3-ylnaphthalen-2-yl)-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)aniline
PubChem CID164835642
Molecular FormulaC64H39NO2S
Molecular Weight886.09 g/mol
Exact Mass885.27
IUPAC Name4-(6-dibenzofuran-3-ylnaphthalen-2-yl)-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)aniline
SMILESc1ccc2c(c1)oc1cc(-c3ccc4cc(-c5ccc(N(c6ccc(-c7cccc8oc9ccccc9c78)cc6)c6ccc(-c7cccc8sc9ccccc9c78)cc6)cc5)ccc4c3)ccc12
InChIInChI=1S/C64H39NO2S/c1-4-14-57-53(9-1)54-36-29-47(39-60(54)67-57)46-22-21-44-37-43(19-20-45(44)38-46)40-23-30-48(31-24-40)65(49-32-25-41(26-33-49)51-12-7-16-59-63(51)55-10-2-5-15-58(55)66-59)50-34-27-42(28-35-50)52-13-8-18-62-64(52)56-11-3-6-17-61(56)68-62/h1-39H
InChIKeyVUGPQCPAEKSTKN-UHFFFAOYSA-N
XLogP19.14
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500886.09
LogP ≤ 519.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)aniline
CID 164835628
N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-4-(4-dibenzothiophen-3-ylphenyl)aniline
CID 164835604
N-(4-dibenzofuran-1-ylphenyl)-4-(3-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)aniline
CID 164835622
N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-3-naphthalen-1-ylaniline
CID 167324053
N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-4-amine
CID 164949044
3-[9-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-diphenylaniline
CID 171597111
N-dibenzofuran-3-yl-N-[4-(9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-4-yl)phenyl]dibenzofuran-3-amine
CID 153300507
N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 159820333
N-(3-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine
CID 165073445
N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-4-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline
CID 164835646
N-(4-dibenzofuran-1-ylphenyl)-1-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 177281313
N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167325717

Frequently Asked Questions

What is the IUPAC name of 4-(6-dibenzofuran-3-ylnaphthalen-2-yl)-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)aniline?
The IUPAC name of 4-(6-dibenzofuran-3-ylnaphthalen-2-yl)-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)aniline (CID 164835642) is 4-(6-dibenzofuran-3-ylnaphthalen-2-yl)-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)aniline.
What is the SMILES notation for 4-(6-dibenzofuran-3-ylnaphthalen-2-yl)-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)aniline?
The canonical SMILES for 4-(6-dibenzofuran-3-ylnaphthalen-2-yl)-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)aniline is c1ccc2c(c1)oc1cc(-c3ccc4cc(-c5ccc(N(c6ccc(-c7cccc8oc9ccccc9c78)cc6)c6ccc(-c7cccc8sc9ccccc9c78)cc6)cc5)ccc4c3)ccc12.
What is the InChIKey of 4-(6-dibenzofuran-3-ylnaphthalen-2-yl)-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)aniline?
The InChIKey is VUGPQCPAEKSTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H39NO2S/c1-4-14-57-53(9-1)54-36-29-47(39-60(54)67-57)46-22-21-44-37-43(19-20-45(44)38-46)40-23-30-48(31-24-40)65(49-32-25-41(26-33-49)51-12-7-16-59-63(51)55-10-2-5-15-58(55)66-59)50-34-27-42(28-35-50)52-13-8-18-62-64(52)56-11-3-6-17-61(56)68-62/h1-39H.
What are the key properties of 4-(6-dibenzofuran-3-ylnaphthalen-2-yl)-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)aniline?
4-(6-dibenzofuran-3-ylnaphthalen-2-yl)-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)aniline has a molecular weight of 886.09 g/mol, XLogP of 19.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-dibenzofuran-3-ylnaphthalen-2-yl)-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)aniline is sourced from PubChem (CID 164835642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).