N-(9,10-diphenylphenanthren-2-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-1-amine

C54H35NO — CID 169063231

IUPACN-(9,10-diphenylphenanthren-2-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)c3cccc4oc5ccccc5c34)c3ccccc23)cc1
InChIInChI=1S/C54H35NO/c1-4-17-36(18-5-1)40-33-34-48(44-25-12-10-23-41(40)44)55(49-28-16-30-51-54(49)46-27-14-15-29-50(46)56-51)39-31-32-43-42-24-11-13-26-45(42)52(37-19-6-2-7-20-37)53(47(43)35-39)38-21-8-3-9-22-38/h1-35H
InChIKeyUEQLINUWLIQRQG-UHFFFAOYSA-N
MW713.88 g/mol
LogP15.52
Rot. Bonds6

About N-(9,10-diphenylphenanthren-2-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-1-amine

N-(9,10-diphenylphenanthren-2-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-1-amine (PubChem CID 169063231) has the molecular formula C54H35NO and a molecular weight of 713.88 g/mol. Its IUPAC name is N-(9,10-diphenylphenanthren-2-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(9,10-diphenylphenanthren-2-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-1-amine
PubChem CID169063231
Molecular FormulaC54H35NO
Molecular Weight713.88 g/mol
Exact Mass713.27
IUPAC NameN-(9,10-diphenylphenanthren-2-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)c3cccc4oc5ccccc5c34)c3ccccc23)cc1
InChIInChI=1S/C54H35NO/c1-4-17-36(18-5-1)40-33-34-48(44-25-12-10-23-41(40)44)55(49-28-16-30-51-54(49)46-27-14-15-29-50(46)56-51)39-31-32-43-42-24-11-13-26-45(42)52(37-19-6-2-7-20-37)53(47(43)35-39)38-21-8-3-9-22-38/h1-35H
InChIKeyUEQLINUWLIQRQG-UHFFFAOYSA-N
XLogP15.52
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.88
LogP ≤ 515.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(9,10-diphenylphenanthren-2-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N,6-N-di(dibenzofuran-1-yl)-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine
CID 89254671
N-(4-dibenzofuran-1-ylphenyl)-N-(3,4-diphenylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169065438
N-phenanthren-9-yl-9,10-diphenyl-N-(4-phenylnaphthalen-1-yl)phenanthren-2-amine
CID 169065327
N-(9,10-diphenylphenanthren-2-yl)-N-naphthalen-1-yldibenzofuran-2-amine
CID 169064041
N-phenyl-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
CID 158699050
N-dibenzofuran-3-yl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-3-amine
CID 121241785
N-(4-dibenzofuran-1-ylphenyl)-9,10-diphenyl-N-(3-phenylphenyl)phenanthren-2-amine
CID 169063199
1-N,7-N-di(dibenzofuran-1-yl)-1-N,7-N,4,5-tetraphenylnaphthalene-1,7-diamine
CID 159556461
N-dibenzofuran-1-yl-N-(2-phenylphenyl)-28-oxaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.029,34]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),29,31,33,36-octadecaen-4-amine
CID 130465131
N-dibenzofuran-1-yl-N-(2-phenylphenyl)-28-oxaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.029,34]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),29,31,33,36-octadecaen-5-amine
CID 130464712
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine
CID 169064515
N-(3,4-diphenylphenyl)-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine
CID 176821447

Frequently Asked Questions

What is the IUPAC name of N-(9,10-diphenylphenanthren-2-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-1-amine?
The IUPAC name of N-(9,10-diphenylphenanthren-2-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-1-amine (CID 169063231) is N-(9,10-diphenylphenanthren-2-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-1-amine.
What is the SMILES notation for N-(9,10-diphenylphenanthren-2-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-1-amine?
The canonical SMILES for N-(9,10-diphenylphenanthren-2-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-1-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)c3cccc4oc5ccccc5c34)c3ccccc23)cc1.
What is the InChIKey of N-(9,10-diphenylphenanthren-2-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-1-amine?
The InChIKey is UEQLINUWLIQRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NO/c1-4-17-36(18-5-1)40-33-34-48(44-25-12-10-23-41(40)44)55(49-28-16-30-51-54(49)46-27-14-15-29-50(46)56-51)39-31-32-43-42-24-11-13-26-45(42)52(37-19-6-2-7-20-37)53(47(43)35-39)38-21-8-3-9-22-38/h1-35H.
What are the key properties of N-(9,10-diphenylphenanthren-2-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-1-amine?
N-(9,10-diphenylphenanthren-2-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-1-amine has a molecular weight of 713.88 g/mol, XLogP of 15.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,10-diphenylphenanthren-2-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-1-amine is sourced from PubChem (CID 169063231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).