N-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-N-(4-phenylphenyl)chrysen-6-amine

C47H30N2O — CID 168737787

IUPACN-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-N-(4-phenylphenyl)chrysen-6-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4nccc5oc6ccccc6c45)cc3)c3cc4c5ccccc5ccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C47H30N2O/c1-2-10-31(11-3-1)32-18-23-35(24-19-32)49(43-30-42-37-13-5-4-12-33(37)22-27-39(42)38-14-6-7-15-40(38)43)36-25-20-34(21-26-36)47-46-41-16-8-9-17-44(41)50-45(46)28-29-48-47/h1-30H
InChIKeyAGRGXRZZBBZZNK-UHFFFAOYSA-N
MW638.77 g/mol
LogP13.24
Rot. Bonds5

About N-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-N-(4-phenylphenyl)chrysen-6-amine

N-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-N-(4-phenylphenyl)chrysen-6-amine (PubChem CID 168737787) has the molecular formula C47H30N2O and a molecular weight of 638.77 g/mol. Its IUPAC name is N-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-N-(4-phenylphenyl)chrysen-6-amine.

Molecular Properties

Compound NameN-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-N-(4-phenylphenyl)chrysen-6-amine
PubChem CID168737787
Molecular FormulaC47H30N2O
Molecular Weight638.77 g/mol
Exact Mass638.24
IUPAC NameN-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-N-(4-phenylphenyl)chrysen-6-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4nccc5oc6ccccc6c45)cc3)c3cc4c5ccccc5ccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C47H30N2O/c1-2-10-31(11-3-1)32-18-23-35(24-19-32)49(43-30-42-37-13-5-4-12-33(37)22-27-39(42)38-14-6-7-15-40(38)43)36-25-20-34(21-26-36)47-46-41-16-8-9-17-44(41)50-45(46)28-29-48-47/h1-30H
InChIKeyAGRGXRZZBBZZNK-UHFFFAOYSA-N
XLogP13.24
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.77
LogP ≤ 513.24
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-chrysen-6-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 170137080
N-(4-phenylphenyl)-N-(4-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine
CID 166861605
N-(3-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)chrysen-1-amine
CID 170137895
N-(4-chrysen-3-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 170137179
N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine
CID 163540753
N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine
CID 166860815
N-(3-phenylphenyl)-N-(4-phenylphenyl)chrysen-6-amine
CID 170135249
N-phenanthren-9-yl-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 89295825
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 88567900
N-chrysen-6-yl-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine
CID 170140340
N-phenanthren-1-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 118369410
N-phenanthren-9-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-2-amine
CID 89295821

Frequently Asked Questions

What is the IUPAC name of N-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-N-(4-phenylphenyl)chrysen-6-amine?
The IUPAC name of N-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-N-(4-phenylphenyl)chrysen-6-amine (CID 168737787) is N-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-N-(4-phenylphenyl)chrysen-6-amine.
What is the SMILES notation for N-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-N-(4-phenylphenyl)chrysen-6-amine?
The canonical SMILES for N-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-N-(4-phenylphenyl)chrysen-6-amine is c1ccc(-c2ccc(N(c3ccc(-c4nccc5oc6ccccc6c45)cc3)c3cc4c5ccccc5ccc4c4ccccc34)cc2)cc1.
What is the InChIKey of N-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-N-(4-phenylphenyl)chrysen-6-amine?
The InChIKey is AGRGXRZZBBZZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N2O/c1-2-10-31(11-3-1)32-18-23-35(24-19-32)49(43-30-42-37-13-5-4-12-33(37)22-27-39(42)38-14-6-7-15-40(38)43)36-25-20-34(21-26-36)47-46-41-16-8-9-17-44(41)50-45(46)28-29-48-47/h1-30H.
What are the key properties of N-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-N-(4-phenylphenyl)chrysen-6-amine?
N-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-N-(4-phenylphenyl)chrysen-6-amine has a molecular weight of 638.77 g/mol, XLogP of 13.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-N-(4-phenylphenyl)chrysen-6-amine is sourced from PubChem (CID 168737787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).