N-(4-dibenzofuran-4-ylphenyl)-N-(2,4,6-triphenylphenyl)phenanthren-2-amine

C56H37NO — CID 137392477

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-(2,4,6-triphenylphenyl)phenanthren-2-amine
SMILESc1ccc(-c2cc(-c3ccccc3)c(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(ccc5ccccc54)c3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C56H37NO/c1-4-15-38(16-5-1)44-36-52(39-17-6-2-7-18-39)55(53(37-44)40-19-8-3-9-20-40)57(46-33-34-48-43(35-46)28-27-41-21-10-11-22-47(41)48)45-31-29-42(30-32-45)49-24-14-25-51-50-23-12-13-26-54(50)58-56(49)51/h1-37H
InChIKeyFMNOGEWTEGHBFI-UHFFFAOYSA-N
MW739.92 g/mol
LogP16.03
Rot. Bonds7

About N-(4-dibenzofuran-4-ylphenyl)-N-(2,4,6-triphenylphenyl)phenanthren-2-amine

N-(4-dibenzofuran-4-ylphenyl)-N-(2,4,6-triphenylphenyl)phenanthren-2-amine (PubChem CID 137392477) has the molecular formula C56H37NO and a molecular weight of 739.92 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-(2,4,6-triphenylphenyl)phenanthren-2-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-(2,4,6-triphenylphenyl)phenanthren-2-amine
PubChem CID137392477
Molecular FormulaC56H37NO
Molecular Weight739.92 g/mol
Exact Mass739.29
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-(2,4,6-triphenylphenyl)phenanthren-2-amine
SMILESc1ccc(-c2cc(-c3ccccc3)c(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(ccc5ccccc54)c3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C56H37NO/c1-4-15-38(16-5-1)44-36-52(39-17-6-2-7-18-39)55(53(37-44)40-19-8-3-9-20-40)57(46-33-34-48-43(35-46)28-27-41-21-10-11-22-47(41)48)45-31-29-42(30-32-45)49-24-14-25-51-50-23-12-13-26-54(50)58-56(49)51/h1-37H
InChIKeyFMNOGEWTEGHBFI-UHFFFAOYSA-N
XLogP16.03
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.92
LogP ≤ 516.03
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-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 137392444
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 118405762
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]chrysen-3-amine
CID 171399261
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine
CID 168804958
N-phenanthren-2-yl-4-phenyl-N-[4-(6-phenyldibenzofuran-3-yl)phenyl]dibenzofuran-1-amine
CID 176821213
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]phenanthren-2-amine
CID 168804810
N-(4-dibenzofuran-4-ylphenyl)-8-methyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-phenylaniline
CID 162132679
N-[4-(4-phenyldibenzofuran-1-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 176821352
N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenanthren-2-amine
CID 168810031
N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine;N-[4-[8-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 158862131
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-3-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396678

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-(2,4,6-triphenylphenyl)phenanthren-2-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-(2,4,6-triphenylphenyl)phenanthren-2-amine (CID 137392477) is N-(4-dibenzofuran-4-ylphenyl)-N-(2,4,6-triphenylphenyl)phenanthren-2-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-(2,4,6-triphenylphenyl)phenanthren-2-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-(2,4,6-triphenylphenyl)phenanthren-2-amine is c1ccc(-c2cc(-c3ccccc3)c(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(ccc5ccccc54)c3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-(2,4,6-triphenylphenyl)phenanthren-2-amine?
The InChIKey is FMNOGEWTEGHBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NO/c1-4-15-38(16-5-1)44-36-52(39-17-6-2-7-18-39)55(53(37-44)40-19-8-3-9-20-40)57(46-33-34-48-43(35-46)28-27-41-21-10-11-22-47(41)48)45-31-29-42(30-32-45)49-24-14-25-51-50-23-12-13-26-54(50)58-56(49)51/h1-37H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-(2,4,6-triphenylphenyl)phenanthren-2-amine?
N-(4-dibenzofuran-4-ylphenyl)-N-(2,4,6-triphenylphenyl)phenanthren-2-amine has a molecular weight of 739.92 g/mol, XLogP of 16.03, 7 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)-N-(2,4,6-triphenylphenyl)phenanthren-2-amine is sourced from PubChem (CID 137392477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).