N-(4-dibenzofuran-4-ylphenyl)-N-(3-phenylphenyl)phenanthridin-6-amine

C43H28N2O — CID 121337366

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-(3-phenylphenyl)phenanthridin-6-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3nc4ccccc4c4ccccc34)c2)cc1
InChIInChI=1S/C43H28N2O/c1-2-12-29(13-3-1)31-14-10-15-33(28-31)45(43-39-19-5-4-16-35(39)36-17-6-8-22-40(36)44-43)32-26-24-30(25-27-32)34-20-11-21-38-37-18-7-9-23-41(37)46-42(34)38/h1-28H
InChIKeyQXOHCWCUFYYWJC-UHFFFAOYSA-N
MW588.71 g/mol
LogP12.09
Rot. Bonds5

About N-(4-dibenzofuran-4-ylphenyl)-N-(3-phenylphenyl)phenanthridin-6-amine

N-(4-dibenzofuran-4-ylphenyl)-N-(3-phenylphenyl)phenanthridin-6-amine (PubChem CID 121337366) has the molecular formula C43H28N2O and a molecular weight of 588.71 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-(3-phenylphenyl)phenanthridin-6-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-(3-phenylphenyl)phenanthridin-6-amine
PubChem CID121337366
Molecular FormulaC43H28N2O
Molecular Weight588.71 g/mol
Exact Mass588.22
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-(3-phenylphenyl)phenanthridin-6-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3nc4ccccc4c4ccccc34)c2)cc1
InChIInChI=1S/C43H28N2O/c1-2-12-29(13-3-1)31-14-10-15-33(28-31)45(43-39-19-5-4-16-35(39)36-17-6-8-22-40(36)44-43)32-26-24-30(25-27-32)34-20-11-21-38-37-18-7-9-23-41(37)46-42(34)38/h1-28H
InChIKeyQXOHCWCUFYYWJC-UHFFFAOYSA-N
XLogP12.09
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.71
LogP ≤ 512.09
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-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 157200619
3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 59136968
3-dibenzofuran-4-yl-N,N-bis[4-[3-(4-methylphenyl)phenyl]phenyl]aniline;3-dibenzofuran-4-yl-N,N-bis[4-[4-(4-methylphenyl)phenyl]phenyl]aniline;3-dibenzofuran-4-yl-N,N-bis[4-(2-phenylphenyl)phenyl]aniline;3-dibenzofuran-4-yl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline
CID 162075230
N-(4-dibenzofuran-4-ylphenyl)-N,3-bis(4-naphthalen-2-ylphenyl)aniline
CID 155374297
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-phenylaniline
CID 137392933
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline
CID 167358323
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
3-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
CID 118428387
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 155374301
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 168804493
N-(4-dibenzofuran-4-ylphenyl)-3-phenanthren-3-yl-N-(3-phenanthren-3-ylphenyl)aniline
CID 142614641
N-(4-dibenzofuran-4-ylphenyl)-N,3-bis(3-naphthalen-2-ylphenyl)aniline
CID 155374464

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-(3-phenylphenyl)phenanthridin-6-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-(3-phenylphenyl)phenanthridin-6-amine (CID 121337366) is N-(4-dibenzofuran-4-ylphenyl)-N-(3-phenylphenyl)phenanthridin-6-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-(3-phenylphenyl)phenanthridin-6-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-(3-phenylphenyl)phenanthridin-6-amine is c1ccc(-c2cccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3nc4ccccc4c4ccccc34)c2)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-(3-phenylphenyl)phenanthridin-6-amine?
The InChIKey is QXOHCWCUFYYWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2O/c1-2-12-29(13-3-1)31-14-10-15-33(28-31)45(43-39-19-5-4-16-35(39)36-17-6-8-22-40(36)44-43)32-26-24-30(25-27-32)34-20-11-21-38-37-18-7-9-23-41(37)46-42(34)38/h1-28H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-(3-phenylphenyl)phenanthridin-6-amine?
N-(4-dibenzofuran-4-ylphenyl)-N-(3-phenylphenyl)phenanthridin-6-amine has a molecular weight of 588.71 g/mol, XLogP of 12.09, 5 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)-N-(3-phenylphenyl)phenanthridin-6-amine is sourced from PubChem (CID 121337366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).