N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-2-naphthalen-1-ylaniline

C58H37NO — CID 167184408

IUPACN-(4-benzo[c]phenanthren-2-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-2-naphthalen-1-ylaniline
SMILESc1cc(-c2cccc3c2oc2ccccc23)cc(N(c2ccc(-c3ccc4ccc5ccc6ccccc6c5c4c3)cc2)c2ccccc2-c2cccc3ccccc23)c1
InChIInChI=1S/C58H37NO/c1-3-17-47-39(12-1)14-10-22-50(47)51-19-5-7-24-55(51)59(46-16-9-15-44(36-46)49-21-11-23-53-52-20-6-8-25-56(52)60-58(49)53)45-34-32-38(33-35-45)43-31-28-41-27-30-42-29-26-40-13-2-4-18-48(40)57(42)54(41)37-43/h1-37H
InChIKeyOAVOZYYJEQYEOB-UHFFFAOYSA-N
MW763.94 g/mol
LogP16.67
Rot. Bonds6

About N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-2-naphthalen-1-ylaniline

N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-2-naphthalen-1-ylaniline (PubChem CID 167184408) has the molecular formula C58H37NO and a molecular weight of 763.94 g/mol. Its IUPAC name is N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-2-naphthalen-1-ylaniline.

Molecular Properties

Compound NameN-(4-benzo[c]phenanthren-2-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-2-naphthalen-1-ylaniline
PubChem CID167184408
Molecular FormulaC58H37NO
Molecular Weight763.94 g/mol
Exact Mass763.29
IUPAC NameN-(4-benzo[c]phenanthren-2-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-2-naphthalen-1-ylaniline
SMILESc1cc(-c2cccc3c2oc2ccccc23)cc(N(c2ccc(-c3ccc4ccc5ccc6ccccc6c5c4c3)cc2)c2ccccc2-c2cccc3ccccc23)c1
InChIInChI=1S/C58H37NO/c1-3-17-47-39(12-1)14-10-22-50(47)51-19-5-7-24-55(51)59(46-16-9-15-44(36-46)49-21-11-23-53-52-20-6-8-25-56(52)60-58(49)53)45-34-32-38(33-35-45)43-31-28-41-27-30-42-29-26-40-13-2-4-18-48(40)57(42)54(41)37-43/h1-37H
InChIKeyOAVOZYYJEQYEOB-UHFFFAOYSA-N
XLogP16.67
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.94
LogP ≤ 516.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(2-naphthalen-1-ylphenyl)phenyl]aniline
CID 167325834
N-(4-dibenzofuran-4-ylphenyl)-2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline
CID 172503073
N-(4-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-ylaniline
CID 174281108
N-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172502739
N-(4-dibenzofuran-4-ylphenyl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168803987
2-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(3-naphthalen-2-ylphenyl)phenyl]aniline
CID 167326067
N-(4-dibenzofuran-4-ylphenyl)-2-naphthalen-1-yl-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 155374411
N-(3-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine
CID 170676836
N-(3-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 174273092
N-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[5-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 172501519
N-(4-dibenzofuran-4-ylphenyl)-N-(2-naphthalen-1-ylphenyl)-2-(4-naphthalen-2-ylphenyl)aniline
CID 155374481
4-[4-[4-(4-dibenzofuran-4-ylphenyl)-N-(4-triphenylen-2-ylphenyl)anilino]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(4-dibenzofuran-4-ylphenyl)-N-(4-triphenylen-2-ylphenyl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 157429192

Frequently Asked Questions

What is the IUPAC name of N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-2-naphthalen-1-ylaniline?
The IUPAC name of N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-2-naphthalen-1-ylaniline (CID 167184408) is N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-2-naphthalen-1-ylaniline.
What is the SMILES notation for N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-2-naphthalen-1-ylaniline?
The canonical SMILES for N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-2-naphthalen-1-ylaniline is c1cc(-c2cccc3c2oc2ccccc23)cc(N(c2ccc(-c3ccc4ccc5ccc6ccccc6c5c4c3)cc2)c2ccccc2-c2cccc3ccccc23)c1.
What is the InChIKey of N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-2-naphthalen-1-ylaniline?
The InChIKey is OAVOZYYJEQYEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NO/c1-3-17-47-39(12-1)14-10-22-50(47)51-19-5-7-24-55(51)59(46-16-9-15-44(36-46)49-21-11-23-53-52-20-6-8-25-56(52)60-58(49)53)45-34-32-38(33-35-45)43-31-28-41-27-30-42-29-26-40-13-2-4-18-48(40)57(42)54(41)37-43/h1-37H.
What are the key properties of N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-2-naphthalen-1-ylaniline?
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-2-naphthalen-1-ylaniline has a molecular weight of 763.94 g/mol, XLogP of 16.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-2-naphthalen-1-ylaniline is sourced from PubChem (CID 167184408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).