N-(4-dibenzofuran-2-ylphenyl)-5-phenanthren-1-yl-2-phenyl-N-(4-phenylphenyl)aniline

C56H37NO — CID 167235297

IUPACN-(4-dibenzofuran-2-ylphenyl)-5-phenanthren-1-yl-2-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3cc(-c4cccc5c4ccc4ccccc45)ccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C56H37NO/c1-3-12-38(13-4-1)39-22-29-45(30-23-39)57(46-31-24-40(25-32-46)43-28-35-56-53(36-43)52-18-9-10-21-55(52)58-56)54-37-44(27-33-49(54)41-14-5-2-6-15-41)48-19-11-20-50-47-17-8-7-16-42(47)26-34-51(48)50/h1-37H
InChIKeyCNUJIOQRNPIIAP-UHFFFAOYSA-N
MW739.92 g/mol
LogP16.03
Rot. Bonds7

About N-(4-dibenzofuran-2-ylphenyl)-5-phenanthren-1-yl-2-phenyl-N-(4-phenylphenyl)aniline

N-(4-dibenzofuran-2-ylphenyl)-5-phenanthren-1-yl-2-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 167235297) has the molecular formula C56H37NO and a molecular weight of 739.92 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-5-phenanthren-1-yl-2-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-ylphenyl)-5-phenanthren-1-yl-2-phenyl-N-(4-phenylphenyl)aniline
PubChem CID167235297
Molecular FormulaC56H37NO
Molecular Weight739.92 g/mol
Exact Mass739.29
IUPAC NameN-(4-dibenzofuran-2-ylphenyl)-5-phenanthren-1-yl-2-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3cc(-c4cccc5c4ccc4ccccc45)ccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C56H37NO/c1-3-12-38(13-4-1)39-22-29-45(30-23-39)57(46-31-24-40(25-32-46)43-28-35-56-53(36-43)52-18-9-10-21-55(52)58-56)54-37-44(27-33-49(54)41-14-5-2-6-15-41)48-19-11-20-50-47-17-8-7-16-42(47)26-34-51(48)50/h1-37H
InChIKeyCNUJIOQRNPIIAP-UHFFFAOYSA-N
XLogP16.03
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.92
LogP ≤ 516.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-naphthalen-1-yl-2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 167234918
5-phenanthren-1-yl-2-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167236645
N-(4-phenanthren-2-ylphenyl)-N-(5-phenanthren-1-yl-2-phenylphenyl)dibenzofuran-1-amine
CID 167234406
N-dibenzofuran-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-3-amine
CID 167233790
N-chrysen-1-yl-N-dibenzofuran-2-yldibenzofuran-2-amine;N-chrysen-1-yl-N-(4-phenylphenyl)dibenzofuran-2-amine;N-chrysen-3-yl-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 165048813
N-(3-dibenzofuran-3-ylphenyl)-5-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 167235123
N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157368464
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-5-phenanthren-9-yl-2-phenylaniline
CID 167235443
2-dibenzofuran-2-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167325244
N-(3-dibenzofuran-2-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzofuran-2-amine
CID 167236593
N-(4-dibenzofuran-2-ylphenyl)-2-phenanthren-2-yl-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-3-(3-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-3-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3-phenanthren-2-ylphenyl)phenyl]-4-phenylaniline
CID 157300254
N-(4-dibenzofuran-1-ylphenyl)-5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
CID 167234839

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-5-phenanthren-1-yl-2-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-5-phenanthren-1-yl-2-phenyl-N-(4-phenylphenyl)aniline (CID 167235297) is N-(4-dibenzofuran-2-ylphenyl)-5-phenanthren-1-yl-2-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-5-phenanthren-1-yl-2-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-5-phenanthren-1-yl-2-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3cc(-c4cccc5c4ccc4ccccc45)ccc3-c3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-5-phenanthren-1-yl-2-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is CNUJIOQRNPIIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NO/c1-3-12-38(13-4-1)39-22-29-45(30-23-39)57(46-31-24-40(25-32-46)43-28-35-56-53(36-43)52-18-9-10-21-55(52)58-56)54-37-44(27-33-49(54)41-14-5-2-6-15-41)48-19-11-20-50-47-17-8-7-16-42(47)26-34-51(48)50/h1-37H.
What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-5-phenanthren-1-yl-2-phenyl-N-(4-phenylphenyl)aniline?
N-(4-dibenzofuran-2-ylphenyl)-5-phenanthren-1-yl-2-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 739.92 g/mol, XLogP of 16.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-2-ylphenyl)-5-phenanthren-1-yl-2-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 167235297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).