N-(3-dibenzofuran-3-ylphenyl)-N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-1-ylaniline

C52H33NOS — CID 168767527

IUPACN-(3-dibenzofuran-3-ylphenyl)-N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-1-ylaniline
SMILESc1cc(-c2ccc3c(c2)oc2ccccc23)cc(N(c2cccc(-c3ccc4c(c3)sc3ccccc34)c2)c2ccccc2-c2cccc3ccccc23)c1
InChIInChI=1S/C52H33NOS/c1-2-18-41-34(12-1)13-11-22-42(41)43-19-3-6-23-48(43)53(39-16-9-14-35(30-39)37-26-28-45-44-20-4-7-24-49(44)54-50(45)32-37)40-17-10-15-36(31-40)38-27-29-47-46-21-5-8-25-51(46)55-52(47)33-38/h1-33H
InChIKeyMCSXSYOFCUXIGZ-UHFFFAOYSA-N
MW719.91 g/mol
LogP15.58
Rot. Bonds6

About N-(3-dibenzofuran-3-ylphenyl)-N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-1-ylaniline

N-(3-dibenzofuran-3-ylphenyl)-N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-1-ylaniline (PubChem CID 168767527) has the molecular formula C52H33NOS and a molecular weight of 719.91 g/mol. Its IUPAC name is N-(3-dibenzofuran-3-ylphenyl)-N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-1-ylaniline.

Molecular Properties

Compound NameN-(3-dibenzofuran-3-ylphenyl)-N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-1-ylaniline
PubChem CID168767527
Molecular FormulaC52H33NOS
Molecular Weight719.91 g/mol
Exact Mass719.23
IUPAC NameN-(3-dibenzofuran-3-ylphenyl)-N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-1-ylaniline
SMILESc1cc(-c2ccc3c(c2)oc2ccccc23)cc(N(c2cccc(-c3ccc4c(c3)sc3ccccc34)c2)c2ccccc2-c2cccc3ccccc23)c1
InChIInChI=1S/C52H33NOS/c1-2-18-41-34(12-1)13-11-22-42(41)43-19-3-6-23-48(43)53(39-16-9-14-35(30-39)37-26-28-45-44-20-4-7-24-49(44)54-50(45)32-37)40-17-10-15-36(31-40)38-27-29-47-46-21-5-8-25-51(46)55-52(47)33-38/h1-33H
InChIKeyMCSXSYOFCUXIGZ-UHFFFAOYSA-N
XLogP15.58
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.91
LogP ≤ 515.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-dibenzothiophen-3-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167326441
N-(3-dibenzofuran-3-ylphenyl)-N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-ylaniline
CID 168767680
N-(4-dibenzofuran-3-ylphenyl)-2-dibenzothiophen-3-yl-N-(3-naphthalen-2-ylphenyl)aniline
CID 167326309
N-(3-dibenzothiophen-1-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 168766712
N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)dibenzofuran-1-amine
CID 164950019
N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 168766637
2-dibenzofuran-1-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-1-ylphenyl)aniline
CID 160994934
N-(2-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-3-amine
CID 167326184
N-(2-dibenzothiophen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 167325748
N-[2-naphthalen-1-yl-6-[7-[4-(N-(2-naphthalen-1-ylphenyl)-3-phenanthren-9-ylanilino)phenyl]dibenzofuran-3-yl]phenyl]-N-(3-phenanthren-9-ylphenyl)dibenzothiophen-3-amine
CID 167285089
N-dibenzothiophen-3-yl-N-[3-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-3-amine
CID 168846117
N-(4-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-1-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-1-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 158074871

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-3-ylphenyl)-N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-1-ylaniline?
The IUPAC name of N-(3-dibenzofuran-3-ylphenyl)-N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-1-ylaniline (CID 168767527) is N-(3-dibenzofuran-3-ylphenyl)-N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-1-ylaniline.
What is the SMILES notation for N-(3-dibenzofuran-3-ylphenyl)-N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-1-ylaniline?
The canonical SMILES for N-(3-dibenzofuran-3-ylphenyl)-N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-1-ylaniline is c1cc(-c2ccc3c(c2)oc2ccccc23)cc(N(c2cccc(-c3ccc4c(c3)sc3ccccc34)c2)c2ccccc2-c2cccc3ccccc23)c1.
What is the InChIKey of N-(3-dibenzofuran-3-ylphenyl)-N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-1-ylaniline?
The InChIKey is MCSXSYOFCUXIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NOS/c1-2-18-41-34(12-1)13-11-22-42(41)43-19-3-6-23-48(43)53(39-16-9-14-35(30-39)37-26-28-45-44-20-4-7-24-49(44)54-50(45)32-37)40-17-10-15-36(31-40)38-27-29-47-46-21-5-8-25-51(46)55-52(47)33-38/h1-33H.
What are the key properties of N-(3-dibenzofuran-3-ylphenyl)-N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-1-ylaniline?
N-(3-dibenzofuran-3-ylphenyl)-N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-1-ylaniline has a molecular weight of 719.91 g/mol, XLogP of 15.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-3-ylphenyl)-N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-1-ylaniline is sourced from PubChem (CID 168767527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).