N-(4-dibenzofuran-4-ylphenyl)-3-phenanthren-3-yl-N-(3-phenanthren-3-ylphenyl)aniline

C58H37NO — CID 142614641

IUPACN-(4-dibenzofuran-4-ylphenyl)-3-phenanthren-3-yl-N-(3-phenanthren-3-ylphenyl)aniline
SMILESc1cc(-c2ccc3ccc4ccccc4c3c2)cc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2cccc(-c3ccc4ccc5ccccc5c4c3)c2)c1
InChIInChI=1S/C58H37NO/c1-3-16-50-38(10-1)22-24-41-26-28-45(36-55(41)50)43-12-7-14-48(34-43)59(47-32-30-40(31-33-47)52-19-9-20-54-53-18-5-6-21-57(53)60-58(52)54)49-15-8-13-44(35-49)46-29-27-42-25-23-39-11-2-4-17-51(39)56(42)37-46/h1-37H
InChIKeyLEGMYZPSZYGKOL-UHFFFAOYSA-N
MW763.94 g/mol
LogP16.67
Rot. Bonds6

About N-(4-dibenzofuran-4-ylphenyl)-3-phenanthren-3-yl-N-(3-phenanthren-3-ylphenyl)aniline

N-(4-dibenzofuran-4-ylphenyl)-3-phenanthren-3-yl-N-(3-phenanthren-3-ylphenyl)aniline (PubChem CID 142614641) has the molecular formula C58H37NO and a molecular weight of 763.94 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-3-phenanthren-3-yl-N-(3-phenanthren-3-ylphenyl)aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-3-phenanthren-3-yl-N-(3-phenanthren-3-ylphenyl)aniline
PubChem CID142614641
Molecular FormulaC58H37NO
Molecular Weight763.94 g/mol
Exact Mass763.29
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-3-phenanthren-3-yl-N-(3-phenanthren-3-ylphenyl)aniline
SMILESc1cc(-c2ccc3ccc4ccccc4c3c2)cc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2cccc(-c3ccc4ccc5ccccc5c4c3)c2)c1
InChIInChI=1S/C58H37NO/c1-3-16-50-38(10-1)22-24-41-26-28-45(36-55(41)50)43-12-7-14-48(34-43)59(47-32-30-40(31-33-47)52-19-9-20-54-53-18-5-6-21-57(53)60-58(52)54)49-15-8-13-44(35-49)46-29-27-42-25-23-39-11-2-4-17-51(39)56(42)37-46/h1-37H
InChIKeyLEGMYZPSZYGKOL-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

N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-phenylaniline
CID 137392933
N-(4-dibenzofuran-4-ylphenyl)-3-fluoranthen-3-yl-N-(4-phenanthren-3-ylphenyl)aniline
CID 166875413
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 157200619
N-(4-dibenzofuran-4-ylphenyl)-N,3-bis(3-naphthalen-2-ylphenyl)aniline
CID 155374464
N-(4-dibenzofuran-4-ylphenyl)-N,3-bis(4-naphthalen-2-ylphenyl)aniline
CID 155374297
N-[3-(6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-3-amine
CID 168805044
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline
CID 167358323
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]phenanthren-3-amine
CID 155119902
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]chrysen-3-amine
CID 171399261
N-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-3-yldibenzofuran-2-amine
CID 168809728
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine
CID 168804958
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 155374301

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-3-phenanthren-3-yl-N-(3-phenanthren-3-ylphenyl)aniline?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-3-phenanthren-3-yl-N-(3-phenanthren-3-ylphenyl)aniline (CID 142614641) is N-(4-dibenzofuran-4-ylphenyl)-3-phenanthren-3-yl-N-(3-phenanthren-3-ylphenyl)aniline.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-3-phenanthren-3-yl-N-(3-phenanthren-3-ylphenyl)aniline?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-3-phenanthren-3-yl-N-(3-phenanthren-3-ylphenyl)aniline is c1cc(-c2ccc3ccc4ccccc4c3c2)cc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2cccc(-c3ccc4ccc5ccccc5c4c3)c2)c1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-3-phenanthren-3-yl-N-(3-phenanthren-3-ylphenyl)aniline?
The InChIKey is LEGMYZPSZYGKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NO/c1-3-16-50-38(10-1)22-24-41-26-28-45(36-55(41)50)43-12-7-14-48(34-43)59(47-32-30-40(31-33-47)52-19-9-20-54-53-18-5-6-21-57(53)60-58(52)54)49-15-8-13-44(35-49)46-29-27-42-25-23-39-11-2-4-17-51(39)56(42)37-46/h1-37H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-3-phenanthren-3-yl-N-(3-phenanthren-3-ylphenyl)aniline?
N-(4-dibenzofuran-4-ylphenyl)-3-phenanthren-3-yl-N-(3-phenanthren-3-ylphenyl)aniline 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-dibenzofuran-4-ylphenyl)-3-phenanthren-3-yl-N-(3-phenanthren-3-ylphenyl)aniline is sourced from PubChem (CID 142614641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).