N-(2-dibenzofuran-3-yl-3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine

C56H35NO2 — CID 177274744

IUPACN-(2-dibenzofuran-3-yl-3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc(-c4cc5ccccc5c5ccccc45)c3-c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C56H35NO2/c1-2-13-36(14-3-1)37-25-28-40(29-26-37)57(41-30-32-48-46-20-9-11-24-53(46)59-55(48)35-41)51-22-12-21-49(50-33-38-15-4-5-16-42(38)43-17-6-7-18-44(43)50)56(51)39-27-31-47-45-19-8-10-23-52(45)58-54(47)34-39/h1-35H
InChIKeyYEGLVJKSAGLRAV-UHFFFAOYSA-N
MW753.90 g/mol
LogP16.26
Rot. Bonds6

About N-(2-dibenzofuran-3-yl-3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine

N-(2-dibenzofuran-3-yl-3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine (PubChem CID 177274744) has the molecular formula C56H35NO2 and a molecular weight of 753.90 g/mol. Its IUPAC name is N-(2-dibenzofuran-3-yl-3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(2-dibenzofuran-3-yl-3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
PubChem CID177274744
Molecular FormulaC56H35NO2
Molecular Weight753.90 g/mol
Exact Mass753.27
IUPAC NameN-(2-dibenzofuran-3-yl-3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc(-c4cc5ccccc5c5ccccc45)c3-c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C56H35NO2/c1-2-13-36(14-3-1)37-25-28-40(29-26-37)57(41-30-32-48-46-20-9-11-24-53(46)59-55(48)35-41)51-22-12-21-49(50-33-38-15-4-5-16-42(38)43-17-6-7-18-44(43)50)56(51)39-27-31-47-45-19-8-10-23-52(45)58-54(47)34-39/h1-35H
InChIKeyYEGLVJKSAGLRAV-UHFFFAOYSA-N
XLogP16.26
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.90
LogP ≤ 516.26
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-(2-naphthalen-1-yl-3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 177274970
N-(3-naphthalen-1-yl-2-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 177274624
N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 170665807
N-(4-dibenzofuran-1-ylphenyl)-3-phenanthren-9-yl-N,2-bis(4-phenylphenyl)aniline
CID 177274685
2-dibenzofuran-3-yl-3-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 170665632
N-(2,3-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 174254313
2-dibenzofuran-2-yl-N-(2,4-diphenylphenyl)-3-phenanthren-9-yl-N-(4-phenylphenyl)aniline
CID 177274487
N-(3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 156577441
N-(4-dibenzofuran-2-ylphenyl)-2-phenanthren-9-yl-3-phenyl-N-(4-phenylphenyl)aniline
CID 177274561
N-[2-[2-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 167086852
N-(4-phenanthren-9-yl-2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 154950525
N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
CID 169007542

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-3-yl-3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-(2-dibenzofuran-3-yl-3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine (CID 177274744) is N-(2-dibenzofuran-3-yl-3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-(2-dibenzofuran-3-yl-3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-(2-dibenzofuran-3-yl-3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc(-c4cc5ccccc5c5ccccc45)c3-c3ccc4c(c3)oc3ccccc34)cc2)cc1.
What is the InChIKey of N-(2-dibenzofuran-3-yl-3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is YEGLVJKSAGLRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35NO2/c1-2-13-36(14-3-1)37-25-28-40(29-26-37)57(41-30-32-48-46-20-9-11-24-53(46)59-55(48)35-41)51-22-12-21-49(50-33-38-15-4-5-16-42(38)43-17-6-7-18-44(43)50)56(51)39-27-31-47-45-19-8-10-23-52(45)58-54(47)34-39/h1-35H.
What are the key properties of N-(2-dibenzofuran-3-yl-3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
N-(2-dibenzofuran-3-yl-3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 753.90 g/mol, XLogP of 16.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzofuran-3-yl-3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 177274744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).