N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)aniline

C52H33NOS — CID 167325168

IUPACN-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)aniline
SMILESc1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)c(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C52H33NOS/c1-2-12-37-33-38(24-23-34(37)11-1)35-25-29-39(30-26-35)53(40-31-27-36(28-32-40)41-16-9-17-45-43-14-4-7-21-49(43)54-51(41)45)48-20-6-3-13-42(48)46-18-10-19-47-44-15-5-8-22-50(44)55-52(46)47/h1-33H
InChIKeyVFWCKOQQXJVMEA-UHFFFAOYSA-N
MW719.91 g/mol
LogP15.58
Rot. Bonds6

About N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)aniline

N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)aniline (PubChem CID 167325168) has the molecular formula C52H33NOS and a molecular weight of 719.91 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)aniline
PubChem CID167325168
Molecular FormulaC52H33NOS
Molecular Weight719.91 g/mol
Exact Mass719.23
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)aniline
SMILESc1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)c(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C52H33NOS/c1-2-12-37-33-38(24-23-34(37)11-1)35-25-29-39(30-26-35)53(40-31-27-36(28-32-40)41-16-9-17-45-43-14-4-7-21-49(43)54-51(41)45)48-20-6-3-13-42(48)46-18-10-19-47-44-15-5-8-22-50(44)55-52(46)47/h1-33H
InChIKeyVFWCKOQQXJVMEA-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-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline
CID 158802733
2-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 167325117
N-(4-dibenzofuran-4-ylphenyl)-2-naphthalen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 155374329
N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-3-yl-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 167325453
N,N-bis(4-dibenzofuran-2-ylphenyl)phenanthren-4-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)phenanthren-4-amine;N,N-bis(4-dibenzothiophen-4-ylphenyl)phenanthren-4-amine
CID 160723829
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501986
2-dibenzothiophen-4-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 167325271
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 155186611
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159541648
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine
CID 164972461
N-dibenzothiophen-4-yl-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 166566035
N-(4-dibenzofuran-4-ylphenyl)-N-(2-naphthalen-1-ylphenyl)-2-(4-naphthalen-2-ylphenyl)aniline
CID 155374481

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)aniline?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)aniline (CID 167325168) is N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)aniline.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)aniline?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)aniline is c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)c(-c2cccc3c2sc2ccccc23)c1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)aniline?
The InChIKey is VFWCKOQQXJVMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NOS/c1-2-12-37-33-38(24-23-34(37)11-1)35-25-29-39(30-26-35)53(40-31-27-36(28-32-40)41-16-9-17-45-43-14-4-7-21-49(43)54-51(41)45)48-20-6-3-13-42(48)46-18-10-19-47-44-15-5-8-22-50(44)55-52(46)47/h1-33H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)aniline?
N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)aniline 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-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)aniline is sourced from PubChem (CID 167325168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).