N-dibenzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)-5-phenylnaphtho[2,1-b][1]benzofuran-8-amine

C54H33NO2 — CID 176808344

IUPACN-dibenzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)-5-phenylnaphtho[2,1-b][1]benzofuran-8-amine
SMILESc1ccc(-c2cc3oc4c(N(c5ccc(-c6cc7ccccc7c7ccccc67)cc5)c5ccc6c(c5)oc5ccccc56)cccc4c3c3ccccc23)cc1
InChIInChI=1S/C54H33NO2/c1-2-13-34(14-3-1)48-33-52-53(45-21-9-8-19-42(45)48)46-22-12-23-49(54(46)57-52)55(38-29-30-44-43-20-10-11-24-50(43)56-51(44)32-38)37-27-25-35(26-28-37)47-31-36-15-4-5-16-39(36)40-17-6-7-18-41(40)47/h1-33H
InChIKeyGGBYAQDIXTUUGE-UHFFFAOYSA-N
MW727.86 g/mol
LogP15.75
Rot. Bonds5

About N-dibenzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)-5-phenylnaphtho[2,1-b][1]benzofuran-8-amine

N-dibenzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)-5-phenylnaphtho[2,1-b][1]benzofuran-8-amine (PubChem CID 176808344) has the molecular formula C54H33NO2 and a molecular weight of 727.86 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)-5-phenylnaphtho[2,1-b][1]benzofuran-8-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)-5-phenylnaphtho[2,1-b][1]benzofuran-8-amine
PubChem CID176808344
Molecular FormulaC54H33NO2
Molecular Weight727.86 g/mol
Exact Mass727.25
IUPAC NameN-dibenzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)-5-phenylnaphtho[2,1-b][1]benzofuran-8-amine
SMILESc1ccc(-c2cc3oc4c(N(c5ccc(-c6cc7ccccc7c7ccccc67)cc5)c5ccc6c(c5)oc5ccccc56)cccc4c3c3ccccc23)cc1
InChIInChI=1S/C54H33NO2/c1-2-13-34(14-3-1)48-33-52-53(45-21-9-8-19-42(45)48)46-22-12-23-49(54(46)57-52)55(38-29-30-44-43-20-10-11-24-50(43)56-51(44)32-38)37-27-25-35(26-28-37)47-31-36-15-4-5-16-39(36)40-17-6-7-18-41(40)47/h1-33H
InChIKeyGGBYAQDIXTUUGE-UHFFFAOYSA-N
XLogP15.75
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.86
LogP ≤ 515.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-phenanthren-9-yl-2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 154950525
N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397171
N,5-diphenyl-N-triphenylen-2-ylnaphtho[2,1-b][1]benzofuran-8-amine
CID 176808221
N-phenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)phenyl]dibenzofuran-4-amine
CID 176808337
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 121241788
N-(4-phenanthren-9-ylphenyl)-N-[3-[7-(9-phenylphenanthren-2-yl)phenanthren-3-yl]phenyl]dibenzofuran-4-amine
CID 154936079
N-(3-dibenzofuran-3-ylphenyl)-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737741
N-(5-phenanthren-9-yl-2-phenylphenyl)-N-phenyldibenzofuran-3-amine
CID 167235145
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine
CID 167330132
N-dibenzofuran-3-yl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167402059
N-dibenzofuran-3-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167144400
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)-5-phenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 176808372

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)-5-phenylnaphtho[2,1-b][1]benzofuran-8-amine?
The IUPAC name of N-dibenzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)-5-phenylnaphtho[2,1-b][1]benzofuran-8-amine (CID 176808344) is N-dibenzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)-5-phenylnaphtho[2,1-b][1]benzofuran-8-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)-5-phenylnaphtho[2,1-b][1]benzofuran-8-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)-5-phenylnaphtho[2,1-b][1]benzofuran-8-amine is c1ccc(-c2cc3oc4c(N(c5ccc(-c6cc7ccccc7c7ccccc67)cc5)c5ccc6c(c5)oc5ccccc56)cccc4c3c3ccccc23)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)-5-phenylnaphtho[2,1-b][1]benzofuran-8-amine?
The InChIKey is GGBYAQDIXTUUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33NO2/c1-2-13-34(14-3-1)48-33-52-53(45-21-9-8-19-42(45)48)46-22-12-23-49(54(46)57-52)55(38-29-30-44-43-20-10-11-24-50(43)56-51(44)32-38)37-27-25-35(26-28-37)47-31-36-15-4-5-16-39(36)40-17-6-7-18-41(40)47/h1-33H.
What are the key properties of N-dibenzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)-5-phenylnaphtho[2,1-b][1]benzofuran-8-amine?
N-dibenzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)-5-phenylnaphtho[2,1-b][1]benzofuran-8-amine has a molecular weight of 727.86 g/mol, XLogP of 15.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)-5-phenylnaphtho[2,1-b][1]benzofuran-8-amine is sourced from PubChem (CID 176808344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).