N-(2-dibenzofuran-3-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-1-amine

C52H33NOS — CID 167235873

IUPACN-(2-dibenzofuran-3-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-1-amine
SMILESc1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2N(c2ccccc2-c2ccc3c(c2)oc2ccccc23)c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C52H33NOS/c1-2-14-35(15-3-1)41-29-27-38(37-26-25-34-13-4-5-16-36(34)31-37)32-47(41)53(46-21-12-24-51-52(46)44-19-8-11-23-50(44)55-51)45-20-9-6-17-40(45)39-28-30-43-42-18-7-10-22-48(42)54-49(43)33-39/h1-33H
InChIKeyCQMXPIQORHVILW-UHFFFAOYSA-N
MW719.91 g/mol
LogP15.58
Rot. Bonds6

About N-(2-dibenzofuran-3-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-1-amine

N-(2-dibenzofuran-3-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-1-amine (PubChem CID 167235873) has the molecular formula C52H33NOS and a molecular weight of 719.91 g/mol. Its IUPAC name is N-(2-dibenzofuran-3-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-(2-dibenzofuran-3-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-1-amine
PubChem CID167235873
Molecular FormulaC52H33NOS
Molecular Weight719.91 g/mol
Exact Mass719.23
IUPAC NameN-(2-dibenzofuran-3-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-1-amine
SMILESc1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2N(c2ccccc2-c2ccc3c(c2)oc2ccccc23)c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C52H33NOS/c1-2-14-35(15-3-1)41-29-27-38(37-26-25-34-13-4-5-16-36(34)31-37)32-47(41)53(46-21-12-24-51-52(46)44-19-8-11-23-50(44)55-51)45-20-9-6-17-40(45)39-28-30-43-42-18-7-10-22-48(42)54-49(43)33-39/h1-33H
InChIKeyCQMXPIQORHVILW-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-(3-dibenzofuran-3-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-1-amine
CID 167236553
N-(2-dibenzofuran-2-ylphenyl)-N-[2-(2-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine
CID 167325957
N-(3-dibenzofuran-3-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-3-amine
CID 167234545
N-dibenzothiophen-1-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-4-amine
CID 167234079
N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167325717
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-(2-dibenzofuran-2-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-2-ylaniline
CID 168767128
N-dibenzothiophen-1-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-1-amine
CID 167234172
N-(4-dibenzofuran-3-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-2-phenylaniline
CID 166565627
N-(3-dibenzothiophen-2-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-1-amine
CID 167234447
4-(6-dibenzofuran-3-ylnaphthalen-2-yl)-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)aniline
CID 164835642

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-3-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-1-amine?
The IUPAC name of N-(2-dibenzofuran-3-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-1-amine (CID 167235873) is N-(2-dibenzofuran-3-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-1-amine.
What is the SMILES notation for N-(2-dibenzofuran-3-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-1-amine?
The canonical SMILES for N-(2-dibenzofuran-3-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-1-amine is c1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2N(c2ccccc2-c2ccc3c(c2)oc2ccccc23)c2cccc3sc4ccccc4c23)cc1.
What is the InChIKey of N-(2-dibenzofuran-3-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-1-amine?
The InChIKey is CQMXPIQORHVILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NOS/c1-2-14-35(15-3-1)41-29-27-38(37-26-25-34-13-4-5-16-36(34)31-37)32-47(41)53(46-21-12-24-51-52(46)44-19-8-11-23-50(44)55-51)45-20-9-6-17-40(45)39-28-30-43-42-18-7-10-22-48(42)54-49(43)33-39/h1-33H.
What are the key properties of N-(2-dibenzofuran-3-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-1-amine?
N-(2-dibenzofuran-3-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-1-amine 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-3-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-1-amine is sourced from PubChem (CID 167235873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).