N-(3-dibenzothiophen-2-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine

C48H31NOS — CID 163448501

IUPACN-(3-dibenzothiophen-2-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(-c4cccc5oc6cccc(Nc7cccc(-c8ccc9sc%10ccccc%10c9c8)c7)c6c45)cc3)cc2)cc1
InChIInChI=1S/C48H31NOS/c1-2-9-31(10-3-1)32-19-21-33(22-20-32)34-23-25-35(26-24-34)39-14-7-16-43-47(39)48-42(15-8-17-44(48)50-43)49-38-12-6-11-36(29-38)37-27-28-46-41(30-37)40-13-4-5-18-45(40)51-46/h1-30,49H
InChIKeyBEOLSFWLCQKARF-UHFFFAOYSA-N
MW669.85 g/mol
LogP14.37
Rot. Bonds6

About N-(3-dibenzothiophen-2-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine

N-(3-dibenzothiophen-2-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine (PubChem CID 163448501) has the molecular formula C48H31NOS and a molecular weight of 669.85 g/mol. Its IUPAC name is N-(3-dibenzothiophen-2-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(3-dibenzothiophen-2-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
PubChem CID163448501
Molecular FormulaC48H31NOS
Molecular Weight669.85 g/mol
Exact Mass669.21
IUPAC NameN-(3-dibenzothiophen-2-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(-c4cccc5oc6cccc(Nc7cccc(-c8ccc9sc%10ccccc%10c9c8)c7)c6c45)cc3)cc2)cc1
InChIInChI=1S/C48H31NOS/c1-2-9-31(10-3-1)32-19-21-33(22-20-32)34-23-25-35(26-24-34)39-14-7-16-43-47(39)48-42(15-8-17-44(48)50-43)49-38-12-6-11-36(29-38)37-27-28-46-41(30-37)40-13-4-5-18-45(40)51-46/h1-30,49H
InChIKeyBEOLSFWLCQKARF-UHFFFAOYSA-N
XLogP14.37
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.85
LogP ≤ 514.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 159820333
N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 163590855
8-phenyl-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 176759717
N-dibenzofuran-2-yldibenzofuran-3-amine;N-naphthalen-1-yldibenzothiophen-3-amine;N-phenyldibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 157309066
N-(3-dibenzofuran-1-ylphenyl)-9-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 166775546
3-dibenzothiophen-1-yl-N-phenylaniline;3-dibenzothiophen-2-yl-N-phenylaniline;4-dibenzothiophen-4-yl-N-phenylaniline;3-(3-dibenzothiophen-1-ylphenyl)-N-phenylaniline
CID 167592386
2-dibenzothiophen-3-yl-4-[4-(7-dibenzothiophen-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 166742671
N-(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N-(3-phenylphenyl)dibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 164973575
N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
CID 170108986
N-(3,5-diphenylphenyl)dibenzothiophen-1-amine;N-(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N-(6-phenylnaphthalen-2-yl)dibenzothiophen-2-amine;N-(3-phenylphenyl)dibenzothiophen-2-amine
CID 158916839
2-dibenzothiophen-2-yl-N-[3-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]aniline
CID 170181035
N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 147227535

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzothiophen-2-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?
The IUPAC name of N-(3-dibenzothiophen-2-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine (CID 163448501) is N-(3-dibenzothiophen-2-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-(3-dibenzothiophen-2-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-(3-dibenzothiophen-2-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine is c1ccc(-c2ccc(-c3ccc(-c4cccc5oc6cccc(Nc7cccc(-c8ccc9sc%10ccccc%10c9c8)c7)c6c45)cc3)cc2)cc1.
What is the InChIKey of N-(3-dibenzothiophen-2-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?
The InChIKey is BEOLSFWLCQKARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NOS/c1-2-9-31(10-3-1)32-19-21-33(22-20-32)34-23-25-35(26-24-34)39-14-7-16-43-47(39)48-42(15-8-17-44(48)50-43)49-38-12-6-11-36(29-38)37-27-28-46-41(30-37)40-13-4-5-18-45(40)51-46/h1-30,49H.
What are the key properties of N-(3-dibenzothiophen-2-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?
N-(3-dibenzothiophen-2-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine has a molecular weight of 669.85 g/mol, XLogP of 14.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzothiophen-2-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 163448501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).