N-dibenzofuran-2-yl-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine

C50H31NO2 — CID 176821192

IUPACN-dibenzofuran-2-yl-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc5c(ccc6ccccc65)c4)c4ccc5oc6ccccc6c5c4)c4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C50H31NO2/c1-2-10-32(11-3-1)33-18-20-35(21-19-33)41-27-28-45(49-43-15-7-9-17-47(43)53-50(41)49)51(38-25-29-48-44(31-38)42-14-6-8-16-46(42)52-48)37-24-26-40-36(30-37)23-22-34-12-4-5-13-39(34)40/h1-31H
InChIKeyLDGIOMUJZLWQEK-UHFFFAOYSA-N
MW677.80 g/mol
LogP14.60
Rot. Bonds5

About N-dibenzofuran-2-yl-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine

N-dibenzofuran-2-yl-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine (PubChem CID 176821192) has the molecular formula C50H31NO2 and a molecular weight of 677.80 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
PubChem CID176821192
Molecular FormulaC50H31NO2
Molecular Weight677.80 g/mol
Exact Mass677.24
IUPAC NameN-dibenzofuran-2-yl-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc5c(ccc6ccccc65)c4)c4ccc5oc6ccccc6c5c4)c4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C50H31NO2/c1-2-10-32(11-3-1)33-18-20-35(21-19-33)41-27-28-45(49-43-15-7-9-17-47(43)53-50(41)49)51(38-25-29-48-44(31-38)42-14-6-8-16-46(42)52-48)37-24-26-40-36(30-37)23-22-34-12-4-5-13-39(34)40/h1-31H
InChIKeyLDGIOMUJZLWQEK-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,N-di(phenanthren-2-yl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820562
N-(4-dibenzofuran-3-ylphenyl)-N-phenanthren-2-yl-4-phenyldibenzofuran-1-amine
CID 176820992
N-phenanthren-2-yl-N-(3-phenylphenyl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821033
N-phenanthren-3-yl-N,4-bis(4-phenylphenyl)dibenzofuran-1-amine
CID 176820694
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820785
N-phenanthren-2-yl-N-(2-phenylphenyl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820810
N-(2,4-diphenylphenyl)-N-phenanthren-2-yl-4-phenyldibenzofuran-1-amine
CID 176820607
N-(2,6-diphenylphenyl)-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821323
N-phenanthren-2-yl-N-phenanthren-9-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820506
N-phenanthren-2-yl-4-phenyl-N-[4-(6-phenyldibenzofuran-3-yl)phenyl]dibenzofuran-1-amine
CID 176821213
N-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-3-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821403
N-phenanthren-2-yl-N-phenanthren-4-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821172

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-dibenzofuran-2-yl-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine (CID 176821192) is N-dibenzofuran-2-yl-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-dibenzofuran-2-yl-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(ccc6ccccc65)c4)c4ccc5oc6ccccc6c5c4)c4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of N-dibenzofuran-2-yl-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is LDGIOMUJZLWQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31NO2/c1-2-10-32(11-3-1)33-18-20-35(21-19-33)41-27-28-45(49-43-15-7-9-17-47(43)53-50(41)49)51(38-25-29-48-44(31-38)42-14-6-8-16-46(42)52-48)37-24-26-40-36(30-37)23-22-34-12-4-5-13-39(34)40/h1-31H.
What are the key properties of N-dibenzofuran-2-yl-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine?
N-dibenzofuran-2-yl-N-phenanthren-2-yl-4-(4-phenylphenyl)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-dibenzofuran-2-yl-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 176821192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).