N-(4-dibenzofuran-1-ylphenyl)-N-(3-phenanthren-1-ylphenyl)-2-(4-phenanthren-1-ylphenyl)aniline

C64H41NO — CID 176810481

IUPACN-(4-dibenzofuran-1-ylphenyl)-N-(3-phenanthren-1-ylphenyl)-2-(4-phenanthren-1-ylphenyl)aniline
SMILESc1cc(-c2cccc3c2ccc2ccccc23)cc(N(c2ccc(-c3cccc4oc5ccccc5c34)cc2)c2ccccc2-c2ccc(-c3cccc4c3ccc3ccccc34)cc2)c1
InChIInChI=1S/C64H41NO/c1-3-17-50-42(13-1)35-39-58-52(21-10-24-56(50)58)44-29-31-45(32-30-44)54-19-5-7-26-61(54)65(48-37-33-46(34-38-48)55-23-12-28-63-64(55)60-20-6-8-27-62(60)66-63)49-16-9-15-47(41-49)53-22-11-25-57-51-18-4-2-14-43(51)36-40-59(53)57/h1-41H
InChIKeyBRXGJFFRPZCKHV-UHFFFAOYSA-N
MW840.04 g/mol
LogP18.34
Rot. Bonds7

About N-(4-dibenzofuran-1-ylphenyl)-N-(3-phenanthren-1-ylphenyl)-2-(4-phenanthren-1-ylphenyl)aniline

N-(4-dibenzofuran-1-ylphenyl)-N-(3-phenanthren-1-ylphenyl)-2-(4-phenanthren-1-ylphenyl)aniline (PubChem CID 176810481) has the molecular formula C64H41NO and a molecular weight of 840.04 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-N-(3-phenanthren-1-ylphenyl)-2-(4-phenanthren-1-ylphenyl)aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-1-ylphenyl)-N-(3-phenanthren-1-ylphenyl)-2-(4-phenanthren-1-ylphenyl)aniline
PubChem CID176810481
Molecular FormulaC64H41NO
Molecular Weight840.04 g/mol
Exact Mass839.32
IUPAC NameN-(4-dibenzofuran-1-ylphenyl)-N-(3-phenanthren-1-ylphenyl)-2-(4-phenanthren-1-ylphenyl)aniline
SMILESc1cc(-c2cccc3c2ccc2ccccc23)cc(N(c2ccc(-c3cccc4oc5ccccc5c34)cc2)c2ccccc2-c2ccc(-c3cccc4c3ccc3ccccc34)cc2)c1
InChIInChI=1S/C64H41NO/c1-3-17-50-42(13-1)35-39-58-52(21-10-24-56(50)58)44-29-31-45(32-30-44)54-19-5-7-26-61(54)65(48-37-33-46(34-38-48)55-23-12-28-63-64(55)60-20-6-8-27-62(60)66-63)49-16-9-15-47(41-49)53-22-11-25-57-51-18-4-2-14-43(51)36-40-59(53)57/h1-41H
InChIKeyBRXGJFFRPZCKHV-UHFFFAOYSA-N
XLogP18.34
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.04
LogP ≤ 518.34
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

N-(4-dibenzofuran-1-ylphenyl)-N-(3-phenanthren-1-ylphenyl)-2-(4-phenanthren-3-ylphenyl)aniline
CID 176810652
N-(4-dibenzofuran-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-(4-phenanthren-2-ylphenyl)aniline
CID 176810397
N-(3-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)chrysen-1-amine
CID 170137895
N-(4-dibenzofuran-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]-2-phenanthren-2-ylaniline
CID 176810690
N-(4-dibenzofuran-1-ylphenyl)-2-naphthalen-2-yl-N-[4-(4-phenanthren-1-ylphenyl)phenyl]aniline
CID 176810230
N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-phenanthren-2-ylaniline
CID 170541993
N-(4-dibenzofuran-1-ylphenyl)-2-(4-phenanthren-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline
CID 176810603
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
CID 170535027
N-(4-dibenzofuran-1-ylphenyl)-N-(2-phenanthren-1-ylphenyl)-2-(4-phenanthren-1-ylphenyl)aniline
CID 176810406
N-(4-dibenzofuran-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]-2-phenanthren-3-ylaniline
CID 176810458
2-naphthalen-1-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-1-ylphenyl)aniline
CID 167330222
N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)phenanthren-9-amine
CID 170535069

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-(3-phenanthren-1-ylphenyl)-2-(4-phenanthren-1-ylphenyl)aniline?
The IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-(3-phenanthren-1-ylphenyl)-2-(4-phenanthren-1-ylphenyl)aniline (CID 176810481) is N-(4-dibenzofuran-1-ylphenyl)-N-(3-phenanthren-1-ylphenyl)-2-(4-phenanthren-1-ylphenyl)aniline.
What is the SMILES notation for N-(4-dibenzofuran-1-ylphenyl)-N-(3-phenanthren-1-ylphenyl)-2-(4-phenanthren-1-ylphenyl)aniline?
The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-N-(3-phenanthren-1-ylphenyl)-2-(4-phenanthren-1-ylphenyl)aniline is c1cc(-c2cccc3c2ccc2ccccc23)cc(N(c2ccc(-c3cccc4oc5ccccc5c34)cc2)c2ccccc2-c2ccc(-c3cccc4c3ccc3ccccc34)cc2)c1.
What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-N-(3-phenanthren-1-ylphenyl)-2-(4-phenanthren-1-ylphenyl)aniline?
The InChIKey is BRXGJFFRPZCKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41NO/c1-3-17-50-42(13-1)35-39-58-52(21-10-24-56(50)58)44-29-31-45(32-30-44)54-19-5-7-26-61(54)65(48-37-33-46(34-38-48)55-23-12-28-63-64(55)60-20-6-8-27-62(60)66-63)49-16-9-15-47(41-49)53-22-11-25-57-51-18-4-2-14-43(51)36-40-59(53)57/h1-41H.
What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-N-(3-phenanthren-1-ylphenyl)-2-(4-phenanthren-1-ylphenyl)aniline?
N-(4-dibenzofuran-1-ylphenyl)-N-(3-phenanthren-1-ylphenyl)-2-(4-phenanthren-1-ylphenyl)aniline has a molecular weight of 840.04 g/mol, XLogP of 18.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-1-ylphenyl)-N-(3-phenanthren-1-ylphenyl)-2-(4-phenanthren-1-ylphenyl)aniline is sourced from PubChem (CID 176810481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).