N-(4-dibenzofuran-1-ylphenyl)-N-(10-phenylphenanthren-9-yl)dibenzofuran-1-amine

C50H31NO2 — CID 155304231

IUPACN-(4-dibenzofuran-1-ylphenyl)-N-(10-phenylphenanthren-9-yl)dibenzofuran-1-amine
SMILESc1ccc(-c2c(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3cccc4oc5ccccc5c34)c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C50H31NO2/c1-2-14-33(15-3-1)47-38-18-6-4-16-36(38)37-17-5-7-19-39(37)50(47)51(42-23-13-27-46-49(42)41-21-9-11-25-44(41)53-46)34-30-28-32(29-31-34)35-22-12-26-45-48(35)40-20-8-10-24-43(40)52-45/h1-31H
InChIKeyGREAWTAGBUYWFT-UHFFFAOYSA-N
MW677.80 g/mol
LogP14.60
Rot. Bonds5

About N-(4-dibenzofuran-1-ylphenyl)-N-(10-phenylphenanthren-9-yl)dibenzofuran-1-amine

N-(4-dibenzofuran-1-ylphenyl)-N-(10-phenylphenanthren-9-yl)dibenzofuran-1-amine (PubChem CID 155304231) has the molecular formula C50H31NO2 and a molecular weight of 677.80 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-N-(10-phenylphenanthren-9-yl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-1-ylphenyl)-N-(10-phenylphenanthren-9-yl)dibenzofuran-1-amine
PubChem CID155304231
Molecular FormulaC50H31NO2
Molecular Weight677.80 g/mol
Exact Mass677.24
IUPAC NameN-(4-dibenzofuran-1-ylphenyl)-N-(10-phenylphenanthren-9-yl)dibenzofuran-1-amine
SMILESc1ccc(-c2c(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3cccc4oc5ccccc5c34)c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C50H31NO2/c1-2-14-33(15-3-1)47-38-18-6-4-16-36(38)37-17-5-7-19-39(37)50(47)51(42-23-13-27-46-49(42)41-21-9-11-25-44(41)53-46)34-30-28-32(29-31-34)35-22-12-26-45-48(35)40-20-8-10-24-43(40)52-45/h1-31H
InChIKeyGREAWTAGBUYWFT-UHFFFAOYSA-N
XLogP14.60
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.80
LogP ≤ 514.60
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-(3-dibenzofuran-1-ylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzofuran-1-amine
CID 155304502
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186868
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186962
N-(2-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 155186765
N-dibenzofuran-1-yl-N-(10-phenylphenanthren-9-yl)dibenzofuran-4-amine
CID 155303746
N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312036
N-(4-dibenzofuran-1-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186946
N-(4-dibenzofuran-1-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzothiophen-1-amine
CID 155303954
N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
CID 154605502
N-(4-dibenzofuran-1-ylphenyl)-3-phenanthren-9-yl-N,2-bis(4-phenylphenyl)aniline
CID 177274685
N-(4-dibenzofuran-1-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline
CID 168789602
N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
CID 139355152

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-(10-phenylphenanthren-9-yl)dibenzofuran-1-amine?
The IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-(10-phenylphenanthren-9-yl)dibenzofuran-1-amine (CID 155304231) is N-(4-dibenzofuran-1-ylphenyl)-N-(10-phenylphenanthren-9-yl)dibenzofuran-1-amine.
What is the SMILES notation for N-(4-dibenzofuran-1-ylphenyl)-N-(10-phenylphenanthren-9-yl)dibenzofuran-1-amine?
The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-N-(10-phenylphenanthren-9-yl)dibenzofuran-1-amine is c1ccc(-c2c(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3cccc4oc5ccccc5c34)c3ccccc3c3ccccc23)cc1.
What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-N-(10-phenylphenanthren-9-yl)dibenzofuran-1-amine?
The InChIKey is GREAWTAGBUYWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31NO2/c1-2-14-33(15-3-1)47-38-18-6-4-16-36(38)37-17-5-7-19-39(37)50(47)51(42-23-13-27-46-49(42)41-21-9-11-25-44(41)53-46)34-30-28-32(29-31-34)35-22-12-26-45-48(35)40-20-8-10-24-43(40)52-45/h1-31H.
What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-N-(10-phenylphenanthren-9-yl)dibenzofuran-1-amine?
N-(4-dibenzofuran-1-ylphenyl)-N-(10-phenylphenanthren-9-yl)dibenzofuran-1-amine has a molecular weight of 677.80 g/mol, XLogP of 14.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-1-ylphenyl)-N-(10-phenylphenanthren-9-yl)dibenzofuran-1-amine is sourced from PubChem (CID 155304231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).