N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-2-ylaniline

C52H33NOS — CID 168767555

IUPACN-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-2-ylaniline
SMILESc1cc(-c2cccc3sc4ccccc4c23)cc(N(c2ccccc2-c2ccc3ccccc3c2)c2ccccc2-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C52H33NOS/c1-2-15-35-32-37(31-30-34(35)14-1)39-18-3-7-25-46(39)53(38-17-11-16-36(33-38)40-22-13-29-50-51(40)45-21-6-10-28-49(45)55-50)47-26-8-4-19-41(47)43-23-12-24-44-42-20-5-9-27-48(42)54-52(43)44/h1-33H
InChIKeyNEQLHBDZYDPAHN-UHFFFAOYSA-N
MW719.91 g/mol
LogP15.58
Rot. Bonds6

About N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-2-ylaniline

N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-2-ylaniline (PubChem CID 168767555) has the molecular formula C52H33NOS and a molecular weight of 719.91 g/mol. Its IUPAC name is N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-2-ylaniline.

Molecular Properties

Compound NameN-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-2-ylaniline
PubChem CID168767555
Molecular FormulaC52H33NOS
Molecular Weight719.91 g/mol
Exact Mass719.23
IUPAC NameN-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-2-ylaniline
SMILESc1cc(-c2cccc3sc4ccccc4c23)cc(N(c2ccccc2-c2ccc3ccccc3c2)c2ccccc2-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C52H33NOS/c1-2-15-35-32-37(31-30-34(35)14-1)39-18-3-7-25-46(39)53(38-17-11-16-36(33-38)40-22-13-29-50-51(40)45-21-6-10-28-49(45)55-50)47-26-8-4-19-41(47)43-23-12-24-44-42-20-5-9-27-48(42)54-52(43)44/h1-33H
InChIKeyNEQLHBDZYDPAHN-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-dibenzofuran-2-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-2-ylaniline
CID 168767128
N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)naphthalen-2-amine
CID 170676864
N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-ylaniline
CID 168767167
N-(3-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-ylaniline
CID 168766912
N-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzothiophen-1-amine
CID 167324123
N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)naphthalen-1-amine
CID 170676842
N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167325717
N-(3-dibenzothiophen-1-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738717
N-(3-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-4-amine
CID 164987719
2-dibenzothiophen-1-yl-N-(3-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 163818280
2-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(3-naphthalen-2-ylphenyl)phenyl]aniline
CID 167326067
N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine
CID 167325681

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-2-ylaniline?
The IUPAC name of N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-2-ylaniline (CID 168767555) is N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-2-ylaniline.
What is the SMILES notation for N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-2-ylaniline?
The canonical SMILES for N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-2-ylaniline is c1cc(-c2cccc3sc4ccccc4c23)cc(N(c2ccccc2-c2ccc3ccccc3c2)c2ccccc2-c2cccc3c2oc2ccccc23)c1.
What is the InChIKey of N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-2-ylaniline?
The InChIKey is NEQLHBDZYDPAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NOS/c1-2-15-35-32-37(31-30-34(35)14-1)39-18-3-7-25-46(39)53(38-17-11-16-36(33-38)40-22-13-29-50-51(40)45-21-6-10-28-49(45)55-50)47-26-8-4-19-41(47)43-23-12-24-44-42-20-5-9-27-48(42)54-52(43)44/h1-33H.
What are the key properties of N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-2-ylaniline?
N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-2-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-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-2-ylaniline is sourced from PubChem (CID 168767555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).