N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-10-naphthalen-1-ylphenanthren-9-amine

C60H37NO2 — CID 155305510

IUPACN-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-10-naphthalen-1-ylphenanthren-9-amine
SMILESc1cc(-c2cccc3c2oc2ccccc23)cc(N(c2ccccc2-c2cccc3c2oc2ccccc23)c2c(-c3cccc4ccccc34)c3ccccc3c3ccccc23)c1
InChIInChI=1S/C60H37NO2/c1-2-21-41-38(17-1)18-14-30-48(41)57-49-27-5-3-22-43(49)44-23-4-6-28-50(44)58(57)61(40-20-13-19-39(37-40)42-29-15-32-52-46-25-8-11-35-55(46)62-59(42)52)54-34-10-7-24-45(54)51-31-16-33-53-47-26-9-12-36-56(47)63-60(51)53/h1-37H
InChIKeyPUUUKJSJVKMSFJ-UHFFFAOYSA-N
MW803.96 g/mol
LogP17.42
Rot. Bonds6

About N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-10-naphthalen-1-ylphenanthren-9-amine

N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-10-naphthalen-1-ylphenanthren-9-amine (PubChem CID 155305510) has the molecular formula C60H37NO2 and a molecular weight of 803.96 g/mol. Its IUPAC name is N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-10-naphthalen-1-ylphenanthren-9-amine.

Molecular Properties

Compound NameN-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-10-naphthalen-1-ylphenanthren-9-amine
PubChem CID155305510
Molecular FormulaC60H37NO2
Molecular Weight803.96 g/mol
Exact Mass803.28
IUPAC NameN-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-10-naphthalen-1-ylphenanthren-9-amine
SMILESc1cc(-c2cccc3c2oc2ccccc23)cc(N(c2ccccc2-c2cccc3c2oc2ccccc23)c2c(-c3cccc4ccccc34)c3ccccc3c3ccccc23)c1
InChIInChI=1S/C60H37NO2/c1-2-21-41-38(17-1)18-14-30-48(41)57-49-27-5-3-22-43(49)44-23-4-6-28-50(44)58(57)61(40-20-13-19-39(37-40)42-29-15-32-52-46-25-8-11-35-55(46)62-59(42)52)54-34-10-7-24-45(54)51-31-16-33-53-47-26-9-12-36-56(47)63-60(51)53/h1-37H
InChIKeyPUUUKJSJVKMSFJ-UHFFFAOYSA-N
XLogP17.42
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.96
LogP ≤ 517.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-10-naphthalen-1-ylphenanthren-9-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-(3-dibenzofuran-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-2-amine
CID 155303930
N-(3-dibenzofuran-4-ylphenyl)-N-(10-naphthalen-2-ylphenanthren-9-yl)dibenzofuran-1-amine
CID 155304965
2-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(2-naphthalen-1-ylphenyl)phenyl]aniline
CID 167325834
10-naphthalen-1-yl-N-(2-phenylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine
CID 155305179
N-(2-dibenzofuran-4-ylphenyl)-N-[10-(3-phenylphenyl)phenanthren-9-yl]dibenzofuran-3-amine
CID 155304392
N-(3-dibenzothiophen-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-1-amine
CID 155304528
N-[3-[2-[dibenzofuran-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-4-amine
CID 167086574
N-(3-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine
CID 170676836
N-(4-dibenzofuran-4-ylphenyl)-2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline
CID 172503073
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-2-naphthalen-1-ylaniline
CID 167184408
N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 172502573
2-(3-dibenzofuran-4-ylphenyl)-N,N-bis(3-phenylphenyl)aniline
CID 126709658

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-10-naphthalen-1-ylphenanthren-9-amine?
The IUPAC name of N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-10-naphthalen-1-ylphenanthren-9-amine (CID 155305510) is N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-10-naphthalen-1-ylphenanthren-9-amine.
What is the SMILES notation for N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-10-naphthalen-1-ylphenanthren-9-amine?
The canonical SMILES for N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-10-naphthalen-1-ylphenanthren-9-amine is c1cc(-c2cccc3c2oc2ccccc23)cc(N(c2ccccc2-c2cccc3c2oc2ccccc23)c2c(-c3cccc4ccccc34)c3ccccc3c3ccccc23)c1.
What is the InChIKey of N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-10-naphthalen-1-ylphenanthren-9-amine?
The InChIKey is PUUUKJSJVKMSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37NO2/c1-2-21-41-38(17-1)18-14-30-48(41)57-49-27-5-3-22-43(49)44-23-4-6-28-50(44)58(57)61(40-20-13-19-39(37-40)42-29-15-32-52-46-25-8-11-35-55(46)62-59(42)52)54-34-10-7-24-45(54)51-31-16-33-53-47-26-9-12-36-56(47)63-60(51)53/h1-37H.
What are the key properties of N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-10-naphthalen-1-ylphenanthren-9-amine?
N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-10-naphthalen-1-ylphenanthren-9-amine has a molecular weight of 803.96 g/mol, XLogP of 17.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-10-naphthalen-1-ylphenanthren-9-amine is sourced from PubChem (CID 155305510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).