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

C37H24N2O — CID 168738101

IUPACN-phenanthren-9-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-9-amine
SMILESc1ccc(-c2ccc(N(c3cc4ccccc4c4ccccc34)c3cccc4oc5cccnc5c34)cc2)cc1
InChIInChI=1S/C37H24N2O/c1-2-10-25(11-3-1)26-19-21-28(22-20-26)39(32-16-8-17-34-36(32)37-35(40-34)18-9-23-38-37)33-24-27-12-4-5-13-29(27)30-14-6-7-15-31(30)33/h1-24H
InChIKeyXYIUWEJAFCATTH-UHFFFAOYSA-N
MW512.61 g/mol
LogP10.42
Rot. Bonds4

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

N-phenanthren-9-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-9-amine (PubChem CID 168738101) has the molecular formula C37H24N2O and a molecular weight of 512.61 g/mol. Its IUPAC name is N-phenanthren-9-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-9-amine.

Molecular Properties

Compound NameN-phenanthren-9-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-9-amine
PubChem CID168738101
Molecular FormulaC37H24N2O
Molecular Weight512.61 g/mol
Exact Mass512.19
IUPAC NameN-phenanthren-9-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-9-amine
SMILESc1ccc(-c2ccc(N(c3cc4ccccc4c4ccccc34)c3cccc4oc5cccnc5c34)cc2)cc1
InChIInChI=1S/C37H24N2O/c1-2-10-25(11-3-1)26-19-21-28(22-20-26)39(32-16-8-17-34-36(32)37-35(40-34)18-9-23-38-37)33-24-27-12-4-5-13-29(27)30-14-6-7-15-31(30)33/h1-24H
InChIKeyXYIUWEJAFCATTH-UHFFFAOYSA-N
XLogP10.42
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.61
LogP ≤ 510.42
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-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-9-amine
CID 168737884
N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-8-amine
CID 166862183
N-phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-6-amine
CID 163825897
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 88567900
N-phenanthren-9-yl-N,1-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 177280873
N-phenanthren-9-yl-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177280932
N-phenanthren-9-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-2-amine
CID 89295821
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridin-6-amine
CID 166861996
N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 170665807
N-phenanthren-9-yl-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 89295825
N,N-bis(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-b]pyridin-7-amine
CID 168738244
3-N-dibenzofuran-4-yl-10-N,10-N-diphenyl-3-N-(4-phenylphenyl)phenanthrene-3,10-diamine
CID 170283931

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-9-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-9-amine?
The IUPAC name of N-phenanthren-9-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-9-amine (CID 168738101) is N-phenanthren-9-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-9-amine.
What is the SMILES notation for N-phenanthren-9-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-9-amine?
The canonical SMILES for N-phenanthren-9-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-9-amine is c1ccc(-c2ccc(N(c3cc4ccccc4c4ccccc34)c3cccc4oc5cccnc5c34)cc2)cc1.
What is the InChIKey of N-phenanthren-9-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-9-amine?
The InChIKey is XYIUWEJAFCATTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N2O/c1-2-10-25(11-3-1)26-19-21-28(22-20-26)39(32-16-8-17-34-36(32)37-35(40-34)18-9-23-38-37)33-24-27-12-4-5-13-29(27)30-14-6-7-15-31(30)33/h1-24H.
What are the key properties of N-phenanthren-9-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-9-amine?
N-phenanthren-9-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-9-amine has a molecular weight of 512.61 g/mol, XLogP of 10.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenanthren-9-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-9-amine is sourced from PubChem (CID 168738101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).