N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-5-amine

C43H30N2O — CID 166862188

IUPACN-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-5-amine
SMILESC1=Cc2c(oc3cccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c23)CN1
InChIInChI=1S/C43H30N2O/c1-2-9-29(10-3-1)30-17-21-33(22-18-30)45(40-15-8-16-41-43(40)38-25-26-44-28-42(38)46-41)34-23-19-31(20-24-34)39-27-32-11-4-5-12-35(32)36-13-6-7-14-37(36)39/h1-27,44H,28H2
InChIKeyFOBLQJIFVQXKRX-UHFFFAOYSA-N
MW590.73 g/mol
LogP11.62
Rot. Bonds5

About N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-5-amine

N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-5-amine (PubChem CID 166862188) has the molecular formula C43H30N2O and a molecular weight of 590.73 g/mol. Its IUPAC name is N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-5-amine.

Molecular Properties

Compound NameN-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-5-amine
PubChem CID166862188
Molecular FormulaC43H30N2O
Molecular Weight590.73 g/mol
Exact Mass590.24
IUPAC NameN-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-5-amine
SMILESC1=Cc2c(oc3cccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c23)CN1
InChIInChI=1S/C43H30N2O/c1-2-9-29(10-3-1)30-17-21-33(22-18-30)45(40-15-8-16-41-43(40)38-25-26-44-28-42(38)46-41)34-23-19-31(20-24-34)39-27-32-11-4-5-12-35(32)36-13-6-7-14-37(36)39/h1-27,44H,28H2
InChIKeyFOBLQJIFVQXKRX-UHFFFAOYSA-N
XLogP11.62
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.73
LogP ≤ 511.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-5-amine with MolForge

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Related Compounds

N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-8-amine
CID 166861320
N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-7-amine
CID 166861643
N-(4-phenanthren-9-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 167397469
N-(4-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 163411525
9-methyl-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176757417
N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
CID 169007542
N-benzo[c]phenanthren-2-yl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-7-amine
CID 166860643
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-6-amine
CID 166861988
N-(4-phenanthren-9-ylphenyl)-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130289864
N-(3,5-diphenylphenyl)-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738007
5-[4-dibenzofuran-1-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[2,3-c]pyridine
CID 166801351
N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)naphthalen-1-amine
CID 170399727

Frequently Asked Questions

What is the IUPAC name of N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-5-amine?
The IUPAC name of N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-5-amine (CID 166862188) is N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-5-amine.
What is the SMILES notation for N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-5-amine?
The canonical SMILES for N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-5-amine is C1=Cc2c(oc3cccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c23)CN1.
What is the InChIKey of N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-5-amine?
The InChIKey is FOBLQJIFVQXKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N2O/c1-2-9-29(10-3-1)30-17-21-33(22-18-30)45(40-15-8-16-41-43(40)38-25-26-44-28-42(38)46-41)34-23-19-31(20-24-34)39-27-32-11-4-5-12-35(32)36-13-6-7-14-37(36)39/h1-27,44H,28H2.
What are the key properties of N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-5-amine?
N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-5-amine has a molecular weight of 590.73 g/mol, XLogP of 11.62, 5 rotatable bonds, 1 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)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-5-amine is sourced from PubChem (CID 166862188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).