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

C39H26N2O — CID 166860583

IUPACN-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-5-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc4oc5cnccc5c34)cc2)cc1
InChIInChI=1S/C39H26N2O/c1-2-7-27(8-3-1)29-15-19-33(20-16-29)41(36-11-6-12-37-39(36)35-23-24-40-26-38(35)42-37)34-21-17-30(18-22-34)32-14-13-28-9-4-5-10-31(28)25-32/h1-26H
InChIKeyAIVYLRPESZLMTE-UHFFFAOYSA-N
MW538.65 g/mol
LogP10.94
Rot. Bonds5

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

N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-5-amine (PubChem CID 166860583) has the molecular formula C39H26N2O and a molecular weight of 538.65 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-5-amine.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-5-amine
PubChem CID166860583
Molecular FormulaC39H26N2O
Molecular Weight538.65 g/mol
Exact Mass538.20
IUPAC NameN-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-5-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc4oc5cnccc5c34)cc2)cc1
InChIInChI=1S/C39H26N2O/c1-2-7-27(8-3-1)29-15-19-33(20-16-29)41(36-11-6-12-37-39(36)35-23-24-40-26-38(35)42-37)34-21-17-30(18-22-34)32-14-13-28-9-4-5-10-31(28)25-32/h1-26H
InChIKeyAIVYLRPESZLMTE-UHFFFAOYSA-N
XLogP10.94
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.65
LogP ≤ 510.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphthalen-2-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-9-amine
CID 166861708
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 166566100
N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 139352752
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 167323696
N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069406
N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 154605841
N-[4-(6-phenylnaphthalen-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 154605702
N-(4-naphthalen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
CID 154605751
N-(4-naphthalen-2-ylphenyl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 168789792
N-(3,5-diphenylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 167324369
7-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 170383587
N-[4-[4-(N-dibenzofuran-1-ylanilino)-3-naphthalen-2-ylphenyl]phenyl]-N-phenyldibenzofuran-1-amine
CID 146583032

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-5-amine?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-5-amine (CID 166860583) is N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-5-amine.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-5-amine?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-5-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc4oc5cnccc5c34)cc2)cc1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-5-amine?
The InChIKey is AIVYLRPESZLMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N2O/c1-2-7-27(8-3-1)29-15-19-33(20-16-29)41(36-11-6-12-37-39(36)35-23-24-40-26-38(35)42-37)34-21-17-30(18-22-34)32-14-13-28-9-4-5-10-31(28)25-32/h1-26H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-5-amine?
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-5-amine has a molecular weight of 538.65 g/mol, XLogP of 10.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-5-amine is sourced from PubChem (CID 166860583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).