N-phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-6-amine

C37H24N2O — CID 163825897

IUPACN-phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-6-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccc5ccccc5c4c3)c3cccc4c3oc3cccnc34)cc2)cc1
InChIInChI=1S/C37H24N2O/c1-2-8-25(9-3-1)26-17-20-29(21-18-26)39(34-13-6-12-32-36-35(40-37(32)34)14-7-23-38-36)30-22-19-28-16-15-27-10-4-5-11-31(27)33(28)24-30/h1-24H
InChIKeyNZMABQFEUQNWJL-UHFFFAOYSA-N
MW512.61 g/mol
LogP10.42
Rot. Bonds4

About N-phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-6-amine

N-phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-6-amine (PubChem CID 163825897) has the molecular formula C37H24N2O and a molecular weight of 512.61 g/mol. Its IUPAC name is N-phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-6-amine.

Molecular Properties

Compound NameN-phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-6-amine
PubChem CID163825897
Molecular FormulaC37H24N2O
Molecular Weight512.61 g/mol
Exact Mass512.19
IUPAC NameN-phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-6-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccc5ccccc5c4c3)c3cccc4c3oc3cccnc34)cc2)cc1
InChIInChI=1S/C37H24N2O/c1-2-8-25(9-3-1)26-17-20-29(21-18-26)39(34-13-6-12-32-36-35(40-37(32)34)14-7-23-38-36)30-22-19-28-16-15-27-10-4-5-11-31(27)33(28)24-30/h1-24H
InChIKeyNZMABQFEUQNWJL-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-(7-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-6-amine
CID 168738271
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridin-6-amine
CID 166861996
N-[3-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-4-yl)phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 167171709
N-(4-dibenzofuran-2-ylphenyl)-N-phenanthren-3-yl-8-phenyldibenzofuran-4-amine
CID 168809994
N-(4-naphthalen-2-ylphenyl)-N-phenanthren-3-yldibenzofuran-4-amine
CID 168809708
N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 167182773
N-(3-phenylphenyl)-N-(4-phenylphenyl)-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-5-amine
CID 167171774
N-dibenzofuran-4-yl-N-(4-phenylphenyl)-17-oxa-15-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-5-amine
CID 167171670
5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-dinaphthalen-1-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine
CID 159519229
N-naphthalen-2-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-4-amine
CID 163825151
3-N-dibenzofuran-4-yl-10-N,10-N-diphenyl-3-N-(4-phenylphenyl)phenanthrene-3,10-diamine
CID 170283931
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-phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-6-amine?
The IUPAC name of N-phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-6-amine (CID 163825897) is N-phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-6-amine.
What is the SMILES notation for N-phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-6-amine?
The canonical SMILES for N-phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-6-amine is c1ccc(-c2ccc(N(c3ccc4ccc5ccccc5c4c3)c3cccc4c3oc3cccnc34)cc2)cc1.
What is the InChIKey of N-phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-6-amine?
The InChIKey is NZMABQFEUQNWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N2O/c1-2-8-25(9-3-1)26-17-20-29(21-18-26)39(34-13-6-12-32-36-35(40-37(32)34)14-7-23-38-36)30-22-19-28-16-15-27-10-4-5-11-31(27)33(28)24-30/h1-24H.
What are the key properties of N-phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-6-amine?
N-phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-6-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-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-6-amine is sourced from PubChem (CID 163825897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).