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

C60H37NO — CID 166875413

IUPACN-(4-dibenzofuran-4-ylphenyl)-3-fluoranthen-3-yl-N-(4-phenanthren-3-ylphenyl)aniline
SMILESc1cc(-c2ccc3c4c(cccc24)-c2ccccc2-3)cc(N(c2ccc(-c3ccc4ccc5ccccc5c4c3)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)c1
InChIInChI=1S/C60H37NO/c1-2-13-47-39(10-1)22-23-41-24-25-42(37-57(41)47)38-26-30-44(31-27-38)61(45-32-28-40(29-33-45)49-17-8-20-56-52-16-5-6-21-58(52)62-60(49)56)46-12-7-11-43(36-46)48-34-35-55-51-15-4-3-14-50(51)54-19-9-18-53(48)59(54)55/h1-37H
InChIKeyWSMFIAFHZUJGBS-UHFFFAOYSA-N
MW787.96 g/mol
LogP17.16
Rot. Bonds6

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

N-(4-dibenzofuran-4-ylphenyl)-3-fluoranthen-3-yl-N-(4-phenanthren-3-ylphenyl)aniline (PubChem CID 166875413) has the molecular formula C60H37NO and a molecular weight of 787.96 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-3-fluoranthen-3-yl-N-(4-phenanthren-3-ylphenyl)aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-3-fluoranthen-3-yl-N-(4-phenanthren-3-ylphenyl)aniline
PubChem CID166875413
Molecular FormulaC60H37NO
Molecular Weight787.96 g/mol
Exact Mass787.29
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-3-fluoranthen-3-yl-N-(4-phenanthren-3-ylphenyl)aniline
SMILESc1cc(-c2ccc3c4c(cccc24)-c2ccccc2-3)cc(N(c2ccc(-c3ccc4ccc5ccccc5c4c3)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)c1
InChIInChI=1S/C60H37NO/c1-2-13-47-39(10-1)22-23-41-24-25-42(37-57(41)47)38-26-30-44(31-27-38)61(45-32-28-40(29-33-45)49-17-8-20-56-52-16-5-6-21-58(52)62-60(49)56)46-12-7-11-43(36-46)48-34-35-55-51-15-4-3-14-50(51)54-19-9-18-53(48)59(54)55/h1-37H
InChIKeyWSMFIAFHZUJGBS-UHFFFAOYSA-N
XLogP17.16
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.96
LogP ≤ 517.16
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)-3-phenanthren-3-yl-N-(3-phenanthren-3-ylphenyl)aniline
CID 142614641
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
3-dibenzofuran-4-yl-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 164831619
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-phenanthren-2-ylphenyl)-3-phenylaniline
CID 137392933
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 155374301
N-(4-dibenzofuran-4-ylphenyl)-N,3-bis(4-naphthalen-2-ylphenyl)aniline
CID 155374297
N-(4-naphthalen-1-ylphenyl)-3-(6-phenyldibenzofuran-4-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168804297
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-(3-dibenzofuran-4-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 126709628
N-[4-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 121299017

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-3-fluoranthen-3-yl-N-(4-phenanthren-3-ylphenyl)aniline?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-3-fluoranthen-3-yl-N-(4-phenanthren-3-ylphenyl)aniline (CID 166875413) is N-(4-dibenzofuran-4-ylphenyl)-3-fluoranthen-3-yl-N-(4-phenanthren-3-ylphenyl)aniline.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-3-fluoranthen-3-yl-N-(4-phenanthren-3-ylphenyl)aniline?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-3-fluoranthen-3-yl-N-(4-phenanthren-3-ylphenyl)aniline is c1cc(-c2ccc3c4c(cccc24)-c2ccccc2-3)cc(N(c2ccc(-c3ccc4ccc5ccccc5c4c3)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)c1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-3-fluoranthen-3-yl-N-(4-phenanthren-3-ylphenyl)aniline?
The InChIKey is WSMFIAFHZUJGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37NO/c1-2-13-47-39(10-1)22-23-41-24-25-42(37-57(41)47)38-26-30-44(31-27-38)61(45-32-28-40(29-33-45)49-17-8-20-56-52-16-5-6-21-58(52)62-60(49)56)46-12-7-11-43(36-46)48-34-35-55-51-15-4-3-14-50(51)54-19-9-18-53(48)59(54)55/h1-37H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-3-fluoranthen-3-yl-N-(4-phenanthren-3-ylphenyl)aniline?
N-(4-dibenzofuran-4-ylphenyl)-3-fluoranthen-3-yl-N-(4-phenanthren-3-ylphenyl)aniline has a molecular weight of 787.96 g/mol, XLogP of 17.16, 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-fluoranthen-3-yl-N-(4-phenanthren-3-ylphenyl)aniline is sourced from PubChem (CID 166875413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).