N-[3-[4-methyl-3-[(Z)-prop-1-enyl]naphthalen-2-yl]phenyl]-N-(3-phenanthren-9-ylphenyl)dibenzofuran-1-amine

C52H37NO — CID 142614731

IUPACN-[3-[4-methyl-3-[(Z)-prop-1-enyl]naphthalen-2-yl]phenyl]-N-(3-phenanthren-9-ylphenyl)dibenzofuran-1-amine
SMILESC/C=C\c1c(-c2cccc(N(c3cccc(-c4cc5ccccc5c5ccccc45)c3)c3cccc4oc5ccccc5c34)c2)cc2ccccc2c1C
InChIInChI=1S/C52H37NO/c1-3-15-42-34(2)41-22-6-4-16-37(41)32-47(42)35-18-12-20-39(30-35)53(49-27-14-29-51-52(49)46-26-10-11-28-50(46)54-51)40-21-13-19-36(31-40)48-33-38-17-5-7-23-43(38)44-24-8-9-25-45(44)48/h3-33H,1-2H3/b15-3-
InChIKeyZBENQWXOZHFUHG-CQPUUCJISA-N
MW691.87 g/mol
LogP15.19
Rot. Bonds6

About N-[3-[4-methyl-3-[(Z)-prop-1-enyl]naphthalen-2-yl]phenyl]-N-(3-phenanthren-9-ylphenyl)dibenzofuran-1-amine

N-[3-[4-methyl-3-[(Z)-prop-1-enyl]naphthalen-2-yl]phenyl]-N-(3-phenanthren-9-ylphenyl)dibenzofuran-1-amine (PubChem CID 142614731) has the molecular formula C52H37NO and a molecular weight of 691.87 g/mol. Its IUPAC name is N-[3-[4-methyl-3-[(Z)-prop-1-enyl]naphthalen-2-yl]phenyl]-N-(3-phenanthren-9-ylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-[3-[4-methyl-3-[(Z)-prop-1-enyl]naphthalen-2-yl]phenyl]-N-(3-phenanthren-9-ylphenyl)dibenzofuran-1-amine
PubChem CID142614731
Molecular FormulaC52H37NO
Molecular Weight691.87 g/mol
Exact Mass691.29
IUPAC NameN-[3-[4-methyl-3-[(Z)-prop-1-enyl]naphthalen-2-yl]phenyl]-N-(3-phenanthren-9-ylphenyl)dibenzofuran-1-amine
SMILESC/C=C\c1c(-c2cccc(N(c3cccc(-c4cc5ccccc5c5ccccc45)c3)c3cccc4oc5ccccc5c34)c2)cc2ccccc2c1C
InChIInChI=1S/C52H37NO/c1-3-15-42-34(2)41-22-6-4-16-37(41)32-47(42)35-18-12-20-39(30-35)53(49-27-14-29-51-52(49)46-26-10-11-28-50(46)54-51)40-21-13-19-36(31-40)48-33-38-17-5-7-23-43(38)44-24-8-9-25-45(44)48/h3-33H,1-2H3/b15-3-
InChIKeyZBENQWXOZHFUHG-CQPUUCJISA-N
XLogP15.19
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.87
LogP ≤ 515.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-[4-methyl-3-[(Z)-prop-1-enyl]naphthalen-2-yl]phenyl]-N-(3-phenanthren-9-ylphenyl)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

N-(4-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 163411525
N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-1-amine
CID 167324318
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-1-amine
CID 167330620
N-(3-dibenzothiophen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-1-amine
CID 149256598
N-(4-dibenzofuran-1-ylphenyl)-3-phenanthren-9-yl-N-(4-phenanthren-9-ylphenyl)aniline
CID 142614686
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-1-amine
CID 155624044
N-(3-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810710
N-(4-phenanthren-2-ylphenyl)-N-[3-(4-phenanthren-2-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810721
N-[3-[3-(N-dibenzofuran-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 167086811
N-(3-phenanthren-9-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069616
N-(3-dibenzofuran-3-ylphenyl)-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737741
9-methyl-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176757417

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-methyl-3-[(Z)-prop-1-enyl]naphthalen-2-yl]phenyl]-N-(3-phenanthren-9-ylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-[3-[4-methyl-3-[(Z)-prop-1-enyl]naphthalen-2-yl]phenyl]-N-(3-phenanthren-9-ylphenyl)dibenzofuran-1-amine (CID 142614731) is N-[3-[4-methyl-3-[(Z)-prop-1-enyl]naphthalen-2-yl]phenyl]-N-(3-phenanthren-9-ylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-[3-[4-methyl-3-[(Z)-prop-1-enyl]naphthalen-2-yl]phenyl]-N-(3-phenanthren-9-ylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-[3-[4-methyl-3-[(Z)-prop-1-enyl]naphthalen-2-yl]phenyl]-N-(3-phenanthren-9-ylphenyl)dibenzofuran-1-amine is C/C=C\c1c(-c2cccc(N(c3cccc(-c4cc5ccccc5c5ccccc45)c3)c3cccc4oc5ccccc5c34)c2)cc2ccccc2c1C.
What is the InChIKey of N-[3-[4-methyl-3-[(Z)-prop-1-enyl]naphthalen-2-yl]phenyl]-N-(3-phenanthren-9-ylphenyl)dibenzofuran-1-amine?
The InChIKey is ZBENQWXOZHFUHG-CQPUUCJISA-N. The full InChI is InChI=1S/C52H37NO/c1-3-15-42-34(2)41-22-6-4-16-37(41)32-47(42)35-18-12-20-39(30-35)53(49-27-14-29-51-52(49)46-26-10-11-28-50(46)54-51)40-21-13-19-36(31-40)48-33-38-17-5-7-23-43(38)44-24-8-9-25-45(44)48/h3-33H,1-2H3/b15-3-.
What are the key properties of N-[3-[4-methyl-3-[(Z)-prop-1-enyl]naphthalen-2-yl]phenyl]-N-(3-phenanthren-9-ylphenyl)dibenzofuran-1-amine?
N-[3-[4-methyl-3-[(Z)-prop-1-enyl]naphthalen-2-yl]phenyl]-N-(3-phenanthren-9-ylphenyl)dibenzofuran-1-amine has a molecular weight of 691.87 g/mol, XLogP of 15.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-methyl-3-[(Z)-prop-1-enyl]naphthalen-2-yl]phenyl]-N-(3-phenanthren-9-ylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 142614731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).