N-(3-dibenzothiophen-2-ylphenyl)-5-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline

C60H39NS — CID 167234295

IUPACN-(3-dibenzothiophen-2-ylphenyl)-5-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline
SMILESc1ccc(-c2ccc(-c3cccc4ccccc34)cc2N(c2ccc(-c3ccc4c(ccc5ccccc54)c3)cc2)c2cccc(-c3ccc4sc5ccccc5c4c3)c2)cc1
InChIInChI=1S/C60H39NS/c1-2-12-42(13-3-1)55-34-29-48(53-22-11-16-41-14-4-6-19-51(41)53)39-58(55)61(50-18-10-17-44(37-50)46-30-35-60-57(38-46)56-21-8-9-23-59(56)62-60)49-31-26-40(27-32-49)45-28-33-54-47(36-45)25-24-43-15-5-7-20-52(43)54/h1-39H
InChIKeyYBDIJVXWIQTRRB-UHFFFAOYSA-N
MW806.05 g/mol
LogP17.65
Rot. Bonds7

About N-(3-dibenzothiophen-2-ylphenyl)-5-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline

N-(3-dibenzothiophen-2-ylphenyl)-5-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline (PubChem CID 167234295) has the molecular formula C60H39NS and a molecular weight of 806.05 g/mol. Its IUPAC name is N-(3-dibenzothiophen-2-ylphenyl)-5-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline.

Molecular Properties

Compound NameN-(3-dibenzothiophen-2-ylphenyl)-5-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline
PubChem CID167234295
Molecular FormulaC60H39NS
Molecular Weight806.05 g/mol
Exact Mass805.28
IUPAC NameN-(3-dibenzothiophen-2-ylphenyl)-5-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline
SMILESc1ccc(-c2ccc(-c3cccc4ccccc34)cc2N(c2ccc(-c3ccc4c(ccc5ccccc54)c3)cc2)c2cccc(-c3ccc4sc5ccccc5c4c3)c2)cc1
InChIInChI=1S/C60H39NS/c1-2-12-42(13-3-1)55-34-29-48(53-22-11-16-41-14-4-6-19-51(41)53)39-58(55)61(50-18-10-17-44(37-50)46-30-35-60-57(38-46)56-21-8-9-23-59(56)62-60)49-31-26-40(27-32-49)45-28-33-54-47(36-45)25-24-43-15-5-7-20-52(43)54/h1-39H
InChIKeyYBDIJVXWIQTRRB-UHFFFAOYSA-N
XLogP17.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.05
LogP ≤ 517.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(3-dibenzothiophen-2-ylphenyl)-5-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
CID 167234029
N-(4-dibenzothiophen-2-ylphenyl)-5-naphthalen-1-yl-2-phenyl-N-(4-phenylphenyl)aniline
CID 167236356
N-(4-dibenzothiophen-2-ylphenyl)-5-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 167235077
N-(4-dibenzothiophen-2-ylphenyl)-5-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 167235358
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-3-amine
CID 167235827
2-dibenzothiophen-2-yl-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167324684
N-dibenzothiophen-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-3-amine
CID 167235674
N-(4-phenanthren-2-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-3-amine
CID 167234946
2-dibenzothiophen-3-yl-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 167325670
2-dibenzothiophen-2-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-phenylaniline
CID 167324864
N-(3-dibenzothiophen-4-ylphenyl)-5-naphthalen-2-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 167234902
N-(4-dibenzothiophen-2-ylphenyl)-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-3-phenylaniline
CID 168846083

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzothiophen-2-ylphenyl)-5-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline?
The IUPAC name of N-(3-dibenzothiophen-2-ylphenyl)-5-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline (CID 167234295) is N-(3-dibenzothiophen-2-ylphenyl)-5-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline.
What is the SMILES notation for N-(3-dibenzothiophen-2-ylphenyl)-5-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline?
The canonical SMILES for N-(3-dibenzothiophen-2-ylphenyl)-5-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline is c1ccc(-c2ccc(-c3cccc4ccccc34)cc2N(c2ccc(-c3ccc4c(ccc5ccccc54)c3)cc2)c2cccc(-c3ccc4sc5ccccc5c4c3)c2)cc1.
What is the InChIKey of N-(3-dibenzothiophen-2-ylphenyl)-5-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline?
The InChIKey is YBDIJVXWIQTRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39NS/c1-2-12-42(13-3-1)55-34-29-48(53-22-11-16-41-14-4-6-19-51(41)53)39-58(55)61(50-18-10-17-44(37-50)46-30-35-60-57(38-46)56-21-8-9-23-59(56)62-60)49-31-26-40(27-32-49)45-28-33-54-47(36-45)25-24-43-15-5-7-20-52(43)54/h1-39H.
What are the key properties of N-(3-dibenzothiophen-2-ylphenyl)-5-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline?
N-(3-dibenzothiophen-2-ylphenyl)-5-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline has a molecular weight of 806.05 g/mol, XLogP of 17.65, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzothiophen-2-ylphenyl)-5-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline is sourced from PubChem (CID 167234295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).