N-[3-dibenzothiophen-2-yl-2-(3-phenylphenyl)phenyl]-N-naphthalen-1-yldibenzofuran-3-amine

C52H33NOS — CID 170666103

IUPACN-[3-dibenzothiophen-2-yl-2-(3-phenylphenyl)phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
SMILESc1ccc(-c2cccc(-c3c(-c4ccc5sc6ccccc6c5c4)cccc3N(c3ccc4c(c3)oc3ccccc34)c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C52H33NOS/c1-2-13-34(14-3-1)36-17-10-18-38(31-36)52-41(37-27-30-51-45(32-37)44-21-7-9-26-50(44)55-51)22-12-24-47(52)53(46-23-11-16-35-15-4-5-19-40(35)46)39-28-29-43-42-20-6-8-25-48(42)54-49(43)33-39/h1-33H
InChIKeyJVSCXUKEHSVAMF-UHFFFAOYSA-N
MW719.91 g/mol
LogP15.58
Rot. Bonds6

About N-[3-dibenzothiophen-2-yl-2-(3-phenylphenyl)phenyl]-N-naphthalen-1-yldibenzofuran-3-amine

N-[3-dibenzothiophen-2-yl-2-(3-phenylphenyl)phenyl]-N-naphthalen-1-yldibenzofuran-3-amine (PubChem CID 170666103) has the molecular formula C52H33NOS and a molecular weight of 719.91 g/mol. Its IUPAC name is N-[3-dibenzothiophen-2-yl-2-(3-phenylphenyl)phenyl]-N-naphthalen-1-yldibenzofuran-3-amine.

Molecular Properties

Compound NameN-[3-dibenzothiophen-2-yl-2-(3-phenylphenyl)phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
PubChem CID170666103
Molecular FormulaC52H33NOS
Molecular Weight719.91 g/mol
Exact Mass719.23
IUPAC NameN-[3-dibenzothiophen-2-yl-2-(3-phenylphenyl)phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
SMILESc1ccc(-c2cccc(-c3c(-c4ccc5sc6ccccc6c5c4)cccc3N(c3ccc4c(c3)oc3ccccc34)c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C52H33NOS/c1-2-13-34(14-3-1)36-17-10-18-38(31-36)52-41(37-27-30-51-45(32-37)44-21-7-9-26-50(44)55-51)22-12-24-47(52)53(46-23-11-16-35-15-4-5-19-40(35)46)39-28-29-43-42-20-6-8-25-48(42)54-49(43)33-39/h1-33H
InChIKeyJVSCXUKEHSVAMF-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

3-dibenzofuran-3-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 170666001
N-[2-dibenzothiophen-2-yl-3-(4-phenylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 170666297
N-(3-dibenzofuran-3-yl-2-phenylphenyl)-N-naphthalen-2-yldibenzothiophen-2-amine
CID 170665599
N-(4-dibenzothiophen-2-ylphenyl)-N-(3,5-diphenylphenyl)dibenzofuran-3-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-phenyldibenzothiophen-3-amine
CID 159845485
2-N-dibenzofuran-3-yl-1-N-naphthalen-1-yl-1-N-phenyl-2-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,2-diamine;2-N-naphthalen-1-yl-1-N,2-N-diphenyl-1-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,2-diamine;1-N,1-N,3-N-triphenyl-3-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,3-diamine
CID 157356012
N-(3-dibenzofuran-2-yl-2-naphthalen-2-ylphenyl)-N-(2-dibenzothiophen-2-ylphenyl)-5-phenylnaphthalen-2-amine
CID 170665860
N-(2-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-3-amine
CID 167325463
N-[4-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 121383334
N-[4-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)phenyl]-N-phenylnaphthalen-1-amine
CID 121383327
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085217
N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-phenyldibenzothiophen-3-amine
CID 167293286
8-dibenzofuran-2-yl-N-(3,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine;8-dibenzofuran-2-yl-N-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine;8-dibenzothiophen-2-yl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 161143692

Frequently Asked Questions

What is the IUPAC name of N-[3-dibenzothiophen-2-yl-2-(3-phenylphenyl)phenyl]-N-naphthalen-1-yldibenzofuran-3-amine?
The IUPAC name of N-[3-dibenzothiophen-2-yl-2-(3-phenylphenyl)phenyl]-N-naphthalen-1-yldibenzofuran-3-amine (CID 170666103) is N-[3-dibenzothiophen-2-yl-2-(3-phenylphenyl)phenyl]-N-naphthalen-1-yldibenzofuran-3-amine.
What is the SMILES notation for N-[3-dibenzothiophen-2-yl-2-(3-phenylphenyl)phenyl]-N-naphthalen-1-yldibenzofuran-3-amine?
The canonical SMILES for N-[3-dibenzothiophen-2-yl-2-(3-phenylphenyl)phenyl]-N-naphthalen-1-yldibenzofuran-3-amine is c1ccc(-c2cccc(-c3c(-c4ccc5sc6ccccc6c5c4)cccc3N(c3ccc4c(c3)oc3ccccc34)c3cccc4ccccc34)c2)cc1.
What is the InChIKey of N-[3-dibenzothiophen-2-yl-2-(3-phenylphenyl)phenyl]-N-naphthalen-1-yldibenzofuran-3-amine?
The InChIKey is JVSCXUKEHSVAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NOS/c1-2-13-34(14-3-1)36-17-10-18-38(31-36)52-41(37-27-30-51-45(32-37)44-21-7-9-26-50(44)55-51)22-12-24-47(52)53(46-23-11-16-35-15-4-5-19-40(35)46)39-28-29-43-42-20-6-8-25-48(42)54-49(43)33-39/h1-33H.
What are the key properties of N-[3-dibenzothiophen-2-yl-2-(3-phenylphenyl)phenyl]-N-naphthalen-1-yldibenzofuran-3-amine?
N-[3-dibenzothiophen-2-yl-2-(3-phenylphenyl)phenyl]-N-naphthalen-1-yldibenzofuran-3-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-[3-dibenzothiophen-2-yl-2-(3-phenylphenyl)phenyl]-N-naphthalen-1-yldibenzofuran-3-amine is sourced from PubChem (CID 170666103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).