4-[4-(4-dibenzofuran-4-yl-N-triphenylen-2-ylanilino)phenyl]phenol

C48H31NO2 — CID 118214703

IUPAC4-[4-(4-dibenzofuran-4-yl-N-triphenylen-2-ylanilino)phenyl]phenol
SMILESOc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C48H31NO2/c50-37-27-20-32(21-28-37)31-16-22-34(23-17-31)49(36-26-29-43-41-10-2-1-8-39(41)40-9-3-4-11-42(40)46(43)30-36)35-24-18-33(19-25-35)38-13-7-14-45-44-12-5-6-15-47(44)51-48(38)45/h1-30,50H
InChIKeySGQIJBJSOFLSPB-UHFFFAOYSA-N
MW653.78 g/mol
LogP13.56
Rot. Bonds5

About 4-[4-(4-dibenzofuran-4-yl-N-triphenylen-2-ylanilino)phenyl]phenol

4-[4-(4-dibenzofuran-4-yl-N-triphenylen-2-ylanilino)phenyl]phenol (PubChem CID 118214703) has the molecular formula C48H31NO2 and a molecular weight of 653.78 g/mol. Its IUPAC name is 4-[4-(4-dibenzofuran-4-yl-N-triphenylen-2-ylanilino)phenyl]phenol.

Molecular Properties

Compound Name4-[4-(4-dibenzofuran-4-yl-N-triphenylen-2-ylanilino)phenyl]phenol
PubChem CID118214703
Molecular FormulaC48H31NO2
Molecular Weight653.78 g/mol
Exact Mass653.24
IUPAC Name4-[4-(4-dibenzofuran-4-yl-N-triphenylen-2-ylanilino)phenyl]phenol
SMILESOc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C48H31NO2/c50-37-27-20-32(21-28-37)31-16-22-34(23-17-31)49(36-26-29-43-41-10-2-1-8-39(41)40-9-3-4-11-42(40)46(43)30-36)35-24-18-33(19-25-35)38-13-7-14-45-44-12-5-6-15-47(44)51-48(38)45/h1-30,50H
InChIKeySGQIJBJSOFLSPB-UHFFFAOYSA-N
XLogP13.56
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.78
LogP ≤ 513.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)triphenylen-2-amine
CID 118214662
7-dibenzofuran-4-yl-N,N-diphenyltriphenylen-2-amine
CID 88884869
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
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-amine
CID 70808580
4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline
CID 59022085
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59022075
N,N-bis(4-dibenzofuran-2-ylphenyl)dibenzofuran-2-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)dibenzofuran-2-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)dibenzofuran-4-amine
CID 159092956
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]chrysen-3-amine
CID 171399261
3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 59136968
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]triphenylen-2-amine
CID 118405775
3-N-dibenzofuran-2-yl-1-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine
CID 118605105
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine
CID 118214526

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-dibenzofuran-4-yl-N-triphenylen-2-ylanilino)phenyl]phenol?
The IUPAC name of 4-[4-(4-dibenzofuran-4-yl-N-triphenylen-2-ylanilino)phenyl]phenol (CID 118214703) is 4-[4-(4-dibenzofuran-4-yl-N-triphenylen-2-ylanilino)phenyl]phenol.
What is the SMILES notation for 4-[4-(4-dibenzofuran-4-yl-N-triphenylen-2-ylanilino)phenyl]phenol?
The canonical SMILES for 4-[4-(4-dibenzofuran-4-yl-N-triphenylen-2-ylanilino)phenyl]phenol is Oc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1.
What is the InChIKey of 4-[4-(4-dibenzofuran-4-yl-N-triphenylen-2-ylanilino)phenyl]phenol?
The InChIKey is SGQIJBJSOFLSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NO2/c50-37-27-20-32(21-28-37)31-16-22-34(23-17-31)49(36-26-29-43-41-10-2-1-8-39(41)40-9-3-4-11-42(40)46(43)30-36)35-24-18-33(19-25-35)38-13-7-14-45-44-12-5-6-15-47(44)51-48(38)45/h1-30,50H.
What are the key properties of 4-[4-(4-dibenzofuran-4-yl-N-triphenylen-2-ylanilino)phenyl]phenol?
4-[4-(4-dibenzofuran-4-yl-N-triphenylen-2-ylanilino)phenyl]phenol has a molecular weight of 653.78 g/mol, XLogP of 13.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-dibenzofuran-4-yl-N-triphenylen-2-ylanilino)phenyl]phenol is sourced from PubChem (CID 118214703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).