N-(4-dibenzofuran-4-ylphenyl)-1-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine

C48H31NO2 — CID 171435159

IUPACN-(4-dibenzofuran-4-ylphenyl)-1-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc(-c4ccccc4)c4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C48H31NO2/c1-3-12-32(13-4-1)33-22-26-36(27-23-33)49(37-28-24-35(25-29-37)39-18-11-19-41-40-16-7-9-20-44(40)50-47(39)41)43-31-30-38(34-14-5-2-6-15-34)46-42-17-8-10-21-45(42)51-48(43)46/h1-31H
InChIKeyPVUAKPZITOLTAP-UHFFFAOYSA-N
MW653.78 g/mol
LogP13.96
Rot. Bonds6

About N-(4-dibenzofuran-4-ylphenyl)-1-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine

N-(4-dibenzofuran-4-ylphenyl)-1-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine (PubChem CID 171435159) has the molecular formula C48H31NO2 and a molecular weight of 653.78 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-1-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-1-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
PubChem CID171435159
Molecular FormulaC48H31NO2
Molecular Weight653.78 g/mol
Exact Mass653.24
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-1-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc(-c4ccccc4)c4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C48H31NO2/c1-3-12-32(13-4-1)33-22-26-36(27-23-33)49(37-28-24-35(25-29-37)39-18-11-19-41-40-16-7-9-20-44(40)50-47(39)41)43-31-30-38(34-14-5-2-6-15-34)46-42-17-8-10-21-45(42)51-48(43)46/h1-31H
InChIKeyPVUAKPZITOLTAP-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-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine
CID 153447933
N-(4-dibenzofuran-2-ylphenyl)-1-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 171434963
N,N-bis(4-dibenzofuran-3-ylphenyl)-1-phenyldibenzofuran-4-amine
CID 171434862
N-(4-dibenzofuran-1-ylphenyl)-1-phenyl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine
CID 171434890
N-dibenzofuran-2-yl-1-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 171435497
N-dibenzofuran-4-yl-N-(4-dibenzofuran-1-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397006
1-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)dibenzofuran-4-amine;1-dibenzofuran-3-yl-N,N-bis(4-phenylphenyl)dibenzofuran-4-amine;1-dibenzofuran-4-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 160558058
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 59136875
N-(4-dibenzofuran-4-ylphenyl)-1-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177281522
N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397842
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-(4-dibenzofuran-4-ylphenyl)-1-N-[4-[4-(N-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N-(4-dibenzofuran-4-ylphenyl)-4-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 167553634

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-1-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-1-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine (CID 171435159) is N-(4-dibenzofuran-4-ylphenyl)-1-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-1-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-1-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc(-c4ccccc4)c4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-1-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is PVUAKPZITOLTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NO2/c1-3-12-32(13-4-1)33-22-26-36(27-23-33)49(37-28-24-35(25-29-37)39-18-11-19-41-40-16-7-9-20-44(40)50-47(39)41)43-31-30-38(34-14-5-2-6-15-34)46-42-17-8-10-21-45(42)51-48(43)46/h1-31H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-1-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine?
N-(4-dibenzofuran-4-ylphenyl)-1-phenyl-N-(4-phenylphenyl)dibenzofuran-4-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 N-(4-dibenzofuran-4-ylphenyl)-1-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 171435159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).