N-dibenzofuran-4-yl-4-phenanthren-9-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine

C56H35NO2 — CID 177069363

IUPACN-dibenzofuran-4-yl-4-phenanthren-9-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc5c4oc4ccccc45)c4ccc(-c5cc6ccccc6c6ccccc56)c5oc6ccccc6c45)cc3)cc2)cc1
InChIInChI=1S/C56H35NO2/c1-2-13-36(14-3-1)37-25-27-38(28-26-37)39-29-31-41(32-30-39)57(51-22-12-21-46-45-19-8-10-23-52(45)58-55(46)51)50-34-33-47(56-54(50)48-20-9-11-24-53(48)59-56)49-35-40-15-4-5-16-42(40)43-17-6-7-18-44(43)49/h1-35H
InChIKeyOFIIZEAYXHGUCW-UHFFFAOYSA-N
MW753.90 g/mol
LogP16.26
Rot. Bonds6

About N-dibenzofuran-4-yl-4-phenanthren-9-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine

N-dibenzofuran-4-yl-4-phenanthren-9-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine (PubChem CID 177069363) has the molecular formula C56H35NO2 and a molecular weight of 753.90 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-4-phenanthren-9-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-dibenzofuran-4-yl-4-phenanthren-9-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
PubChem CID177069363
Molecular FormulaC56H35NO2
Molecular Weight753.90 g/mol
Exact Mass753.27
IUPAC NameN-dibenzofuran-4-yl-4-phenanthren-9-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc5c4oc4ccccc45)c4ccc(-c5cc6ccccc6c6ccccc56)c5oc6ccccc6c45)cc3)cc2)cc1
InChIInChI=1S/C56H35NO2/c1-2-13-36(14-3-1)37-25-27-38(28-26-37)39-29-31-41(32-30-39)57(51-22-12-21-46-45-19-8-10-23-52(45)58-55(46)51)50-34-33-47(56-54(50)48-20-9-11-24-53(48)59-56)49-35-40-15-4-5-16-42(40)43-17-6-7-18-44(43)49/h1-35H
InChIKeyOFIIZEAYXHGUCW-UHFFFAOYSA-N
XLogP16.26
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.90
LogP ≤ 516.26
H-Bond Donors ≤ 50
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-(2,4-diphenylphenyl)-4-phenanthren-9-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069317
N-(2-phenanthren-9-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069853
4-phenanthren-9-yl-N-[2-(4-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine
CID 177069852
4-phenanthren-9-yl-N-(4-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069305
N-(2,4-diphenylphenyl)-4-phenanthren-9-yl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069217
N-phenanthren-1-yl-4-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820432
N-[4-(2,5-diphenylphenyl)phenyl]-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine
CID 176820885
N-phenanthren-1-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 118369410
N-[4-(2,4-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-phenanthren-1-yldibenzofuran-1-amine
CID 176820707
4-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine
CID 153447933
N-dibenzofuran-4-yl-1-[1-(N-dibenzofuran-4-ylanilino)dibenzofuran-4-yl]-N-phenyldibenzofuran-4-amine
CID 171435510
N-(3-phenanthren-9-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069616

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-4-phenanthren-9-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?
The IUPAC name of N-dibenzofuran-4-yl-4-phenanthren-9-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine (CID 177069363) is N-dibenzofuran-4-yl-4-phenanthren-9-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-dibenzofuran-4-yl-4-phenanthren-9-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-dibenzofuran-4-yl-4-phenanthren-9-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine is c1ccc(-c2ccc(-c3ccc(N(c4cccc5c4oc4ccccc45)c4ccc(-c5cc6ccccc6c6ccccc56)c5oc6ccccc6c45)cc3)cc2)cc1.
What is the InChIKey of N-dibenzofuran-4-yl-4-phenanthren-9-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?
The InChIKey is OFIIZEAYXHGUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35NO2/c1-2-13-36(14-3-1)37-25-27-38(28-26-37)39-29-31-41(32-30-39)57(51-22-12-21-46-45-19-8-10-23-52(45)58-55(46)51)50-34-33-47(56-54(50)48-20-9-11-24-53(48)59-56)49-35-40-15-4-5-16-42(40)43-17-6-7-18-44(43)49/h1-35H.
What are the key properties of N-dibenzofuran-4-yl-4-phenanthren-9-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?
N-dibenzofuran-4-yl-4-phenanthren-9-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine has a molecular weight of 753.90 g/mol, XLogP of 16.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-4-yl-4-phenanthren-9-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 177069363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).