N-(4-dibenzofuran-2-ylphenyl)-1-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine

C48H31NO2 — CID 171434963

IUPACN-(4-dibenzofuran-2-ylphenyl)-1-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc(-c4ccccc4)c4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C48H31NO2/c1-3-11-32(12-4-1)33-19-24-37(25-20-33)49(38-26-21-34(22-27-38)36-23-30-46-42(31-36)40-15-7-9-17-44(40)50-46)43-29-28-39(35-13-5-2-6-14-35)47-41-16-8-10-18-45(41)51-48(43)47/h1-31H
InChIKeyCEIPWACMRJCXIN-UHFFFAOYSA-N
MW653.78 g/mol
LogP13.96
Rot. Bonds6

About N-(4-dibenzofuran-2-ylphenyl)-1-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine

N-(4-dibenzofuran-2-ylphenyl)-1-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine (PubChem CID 171434963) has the molecular formula C48H31NO2 and a molecular weight of 653.78 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-1-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-ylphenyl)-1-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
PubChem CID171434963
Molecular FormulaC48H31NO2
Molecular Weight653.78 g/mol
Exact Mass653.24
IUPAC NameN-(4-dibenzofuran-2-ylphenyl)-1-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc(-c4ccccc4)c4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C48H31NO2/c1-3-11-32(12-4-1)33-19-24-37(25-20-33)49(38-26-21-34(22-27-38)36-23-30-46-42(31-36)40-15-7-9-17-44(40)50-46)43-29-28-39(35-13-5-2-6-14-35)47-41-16-8-10-18-45(41)51-48(43)47/h1-31H
InChIKeyCEIPWACMRJCXIN-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

N-dibenzofuran-2-yl-1-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 171435497
N,N-bis(4-dibenzofuran-3-ylphenyl)-1-phenyldibenzofuran-4-amine
CID 171434862
4-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine;4-dibenzofuran-3-yl-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine;N-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 157296269
N-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1-phenyldibenzofuran-4-amine
CID 171434660
N-(4-dibenzofuran-4-ylphenyl)-1-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 171435159
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-3-ylphenyl)-N-naphthalen-2-yl-1-phenyldibenzofuran-4-amine
CID 171434822
4-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-1-ylphenyl)aniline;4-dibenzofuran-4-yl-N,N-bis(4-dibenzofuran-1-ylphenyl)naphthalen-1-amine;4-dibenzofuran-1-yl-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)aniline
CID 167649137
N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-1-phenyldibenzofuran-4-amine
CID 171435415
N-(4-dibenzothiophen-2-ylphenyl)-1-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 171434776
4-dibenzofuran-4-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)naphthalen-1-amine
CID 58510698
N-(4-dibenzofuran-1-ylphenyl)-1-phenyl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine
CID 171434890

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-1-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-1-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine (CID 171434963) is N-(4-dibenzofuran-2-ylphenyl)-1-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-1-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-1-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc(-c4ccccc4)c4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-1-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is CEIPWACMRJCXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NO2/c1-3-11-32(12-4-1)33-19-24-37(25-20-33)49(38-26-21-34(22-27-38)36-23-30-46-42(31-36)40-15-7-9-17-44(40)50-46)43-29-28-39(35-13-5-2-6-14-35)47-41-16-8-10-18-45(41)51-48(43)47/h1-31H.
What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-1-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine?
N-(4-dibenzofuran-2-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-2-ylphenyl)-1-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 171434963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).