4-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine

C48H31NO2 — CID 153447933

IUPAC4-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)c4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C48H31NO2/c1-3-12-32(13-4-1)34-22-26-36(27-23-34)49(37-28-24-35(25-29-37)33-14-5-2-6-15-33)43-31-30-41(48-46(43)42-17-8-10-21-45(42)51-48)40-19-11-18-39-38-16-7-9-20-44(38)50-47(39)40/h1-31H
InChIKeyFMIRTEZCSFCXEB-UHFFFAOYSA-N
MW653.78 g/mol
LogP13.96
Rot. Bonds6

About 4-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine

4-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine (PubChem CID 153447933) has the molecular formula C48H31NO2 and a molecular weight of 653.78 g/mol. Its IUPAC name is 4-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound Name4-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine
PubChem CID153447933
Molecular FormulaC48H31NO2
Molecular Weight653.78 g/mol
Exact Mass653.24
IUPAC Name4-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)c4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C48H31NO2/c1-3-12-32(13-4-1)34-22-26-36(27-23-34)49(37-28-24-35(25-29-37)33-14-5-2-6-15-33)43-31-30-41(48-46(43)42-17-8-10-21-45(42)51-48)40-19-11-18-39-38-16-7-9-20-44(38)50-47(39)40/h1-31H
InChIKeyFMIRTEZCSFCXEB-UHFFFAOYSA-N
XLogP13.96
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.78
LogP ≤ 513.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-dibenzofuran-4-yl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 153447940
4-(2-dibenzofuran-1-ylphenyl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176824526
N-(4-dibenzofuran-4-ylphenyl)-1-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 171435159
N-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-3-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821403
4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 168848086
4-dibenzofuran-4-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)naphthalen-1-amine
CID 58510698
N-[4-(4-dibenzofuran-4-yl-3-phenylphenyl)phenyl]-N-(2,4-diphenylphenyl)-2,4-diphenylaniline
CID 164831971
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N,4-diphenylaniline
CID 154961695
3-(4-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-bis(4-phenylphenyl)aniline
CID 153447918
N-phenanthren-2-yl-4-phenyl-N-[4-(6-phenyldibenzofuran-3-yl)phenyl]dibenzofuran-1-amine
CID 176821213
N-(4-dibenzofuran-4-ylphenyl)-1-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177281522
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine
CID 168848092

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of 4-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine (CID 153447933) is 4-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for 4-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for 4-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)c4oc5ccccc5c34)cc2)cc1.
What is the InChIKey of 4-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is FMIRTEZCSFCXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NO2/c1-3-12-32(13-4-1)34-22-26-36(27-23-34)49(37-28-24-35(25-29-37)33-14-5-2-6-15-33)43-31-30-41(48-46(43)42-17-8-10-21-45(42)51-48)40-19-11-18-39-38-16-7-9-20-44(38)50-47(39)40/h1-31H.
What are the key properties of 4-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine?
4-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine has a molecular weight of 653.78 g/mol, XLogP of 13.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 153447933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).