N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-8-amine

C43H28N2O — CID 166862183

IUPACN-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-8-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3ccc4oc5cccnc5c4c3)cc2)cc1
InChIInChI=1S/C43H28N2O/c1-2-9-29(10-3-1)30-16-20-33(21-17-30)45(35-24-25-41-40(28-35)43-42(46-41)15-8-26-44-43)34-22-18-31(19-23-34)39-27-32-11-4-5-12-36(32)37-13-6-7-14-38(37)39/h1-28H
InChIKeyDEOXQOVODWXZGJ-UHFFFAOYSA-N
MW588.71 g/mol
LogP12.09
Rot. Bonds5

About N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-8-amine

N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-8-amine (PubChem CID 166862183) has the molecular formula C43H28N2O and a molecular weight of 588.71 g/mol. Its IUPAC name is N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-8-amine.

Molecular Properties

Compound NameN-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-8-amine
PubChem CID166862183
Molecular FormulaC43H28N2O
Molecular Weight588.71 g/mol
Exact Mass588.22
IUPAC NameN-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-8-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3ccc4oc5cccnc5c4c3)cc2)cc1
InChIInChI=1S/C43H28N2O/c1-2-9-29(10-3-1)30-16-20-33(21-17-30)45(35-24-25-41-40(28-35)43-42(46-41)15-8-26-44-43)34-22-18-31(19-23-34)39-27-32-11-4-5-12-36(32)37-13-6-7-14-38(37)39/h1-28H
InChIKeyDEOXQOVODWXZGJ-UHFFFAOYSA-N
XLogP12.09
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.71
LogP ≤ 512.09
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,N-bis(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-b]pyridin-7-amine
CID 168738244
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-8-amine
CID 166860593
N-(4-phenanthren-9-ylphenyl)-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 170301497
N-phenanthren-9-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-9-amine
CID 168738101
3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-3-N-(2-phenylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 162770449
N-(3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 156577441
3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 162770448
N-phenanthren-9-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-2-amine
CID 89295821
N-phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-6-amine
CID 163825897
N-(4-dibenzofuran-1-ylphenyl)-3-phenanthren-9-yl-N-(4-phenanthren-9-ylphenyl)aniline
CID 142614686
N-(4-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 163411525
N-[4-(3-methyldibenzofuran-1-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-4-phenylaniline
CID 176757216

Frequently Asked Questions

What is the IUPAC name of N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-8-amine?
The IUPAC name of N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-8-amine (CID 166862183) is N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-8-amine.
What is the SMILES notation for N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-8-amine?
The canonical SMILES for N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-8-amine is c1ccc(-c2ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3ccc4oc5cccnc5c4c3)cc2)cc1.
What is the InChIKey of N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-8-amine?
The InChIKey is DEOXQOVODWXZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2O/c1-2-9-29(10-3-1)30-16-20-33(21-17-30)45(35-24-25-41-40(28-35)43-42(46-41)15-8-26-44-43)34-22-18-31(19-23-34)39-27-32-11-4-5-12-36(32)37-13-6-7-14-38(37)39/h1-28H.
What are the key properties of N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-8-amine?
N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-8-amine has a molecular weight of 588.71 g/mol, XLogP of 12.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-8-amine is sourced from PubChem (CID 166862183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).