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

C27H18N2O — CID 170177712

IUPACN-[4-([1]benzofuro[2,3-c]pyridin-5-yl)phenyl]naphthalen-1-amine
SMILESc1ccc2c(Nc3ccc(-c4cccc5oc6cnccc6c45)cc3)cccc2c1
InChIInChI=1S/C27H18N2O/c1-2-7-21-18(5-1)6-3-9-24(21)29-20-13-11-19(12-14-20)22-8-4-10-25-27(22)23-15-16-28-17-26(23)30-25/h1-17,29H
InChIKeyWWXRHLWAPYEYEP-UHFFFAOYSA-N
MW386.45 g/mol
LogP7.54
Rot. Bonds3

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

N-[4-([1]benzofuro[2,3-c]pyridin-5-yl)phenyl]naphthalen-1-amine (PubChem CID 170177712) has the molecular formula C27H18N2O and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[4-([1]benzofuro[2,3-c]pyridin-5-yl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[4-([1]benzofuro[2,3-c]pyridin-5-yl)phenyl]naphthalen-1-amine
PubChem CID170177712
Molecular FormulaC27H18N2O
Molecular Weight386.45 g/mol
Exact Mass386.14
IUPAC NameN-[4-([1]benzofuro[2,3-c]pyridin-5-yl)phenyl]naphthalen-1-amine
SMILESc1ccc2c(Nc3ccc(-c4cccc5oc6cnccc6c45)cc3)cccc2c1
InChIInChI=1S/C27H18N2O/c1-2-7-21-18(5-1)6-3-9-24(21)29-20-13-11-19(12-14-20)22-8-4-10-25-27(22)23-15-16-28-17-26(23)30-25/h1-17,29H
InChIKeyWWXRHLWAPYEYEP-UHFFFAOYSA-N
XLogP7.54
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 57.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-([1]benzofuro[2,3-c]pyridin-5-yl)phenyl]naphthalen-1-amine?
The IUPAC name of N-[4-([1]benzofuro[2,3-c]pyridin-5-yl)phenyl]naphthalen-1-amine (CID 170177712) is N-[4-([1]benzofuro[2,3-c]pyridin-5-yl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-[4-([1]benzofuro[2,3-c]pyridin-5-yl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-[4-([1]benzofuro[2,3-c]pyridin-5-yl)phenyl]naphthalen-1-amine is c1ccc2c(Nc3ccc(-c4cccc5oc6cnccc6c45)cc3)cccc2c1.
What is the InChIKey of N-[4-([1]benzofuro[2,3-c]pyridin-5-yl)phenyl]naphthalen-1-amine?
The InChIKey is WWXRHLWAPYEYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N2O/c1-2-7-21-18(5-1)6-3-9-24(21)29-20-13-11-19(12-14-20)22-8-4-10-25-27(22)23-15-16-28-17-26(23)30-25/h1-17,29H.
What are the key properties of N-[4-([1]benzofuro[2,3-c]pyridin-5-yl)phenyl]naphthalen-1-amine?
N-[4-([1]benzofuro[2,3-c]pyridin-5-yl)phenyl]naphthalen-1-amine has a molecular weight of 386.45 g/mol, XLogP of 7.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-([1]benzofuro[2,3-c]pyridin-5-yl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 170177712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).