N,N-bis(4-naphthalen-1-ylphenyl)-[1]benzofuro[3,2-b]pyridin-4-amine

C43H28N2O — CID 166861071

IUPACN,N-bis(4-naphthalen-1-ylphenyl)-[1]benzofuro[3,2-b]pyridin-4-amine
SMILESc1ccc2c(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccnc5c4oc4ccccc45)cc3)cccc2c1
InChIInChI=1S/C43H28N2O/c1-3-13-35-29(9-1)11-7-16-37(35)31-19-23-33(24-20-31)45(40-27-28-44-42-39-15-5-6-18-41(39)46-43(40)42)34-25-21-32(22-26-34)38-17-8-12-30-10-2-4-14-36(30)38/h1-28H
InChIKeyMNBDZMWSTVCETO-UHFFFAOYSA-N
MW588.71 g/mol
LogP12.09
Rot. Bonds5

About N,N-bis(4-naphthalen-1-ylphenyl)-[1]benzofuro[3,2-b]pyridin-4-amine

N,N-bis(4-naphthalen-1-ylphenyl)-[1]benzofuro[3,2-b]pyridin-4-amine (PubChem CID 166861071) has the molecular formula C43H28N2O and a molecular weight of 588.71 g/mol. Its IUPAC name is N,N-bis(4-naphthalen-1-ylphenyl)-[1]benzofuro[3,2-b]pyridin-4-amine.

Molecular Properties

Compound NameN,N-bis(4-naphthalen-1-ylphenyl)-[1]benzofuro[3,2-b]pyridin-4-amine
PubChem CID166861071
Molecular FormulaC43H28N2O
Molecular Weight588.71 g/mol
Exact Mass588.22
IUPAC NameN,N-bis(4-naphthalen-1-ylphenyl)-[1]benzofuro[3,2-b]pyridin-4-amine
SMILESc1ccc2c(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccnc5c4oc4ccccc45)cc3)cccc2c1
InChIInChI=1S/C43H28N2O/c1-3-13-35-29(9-1)11-7-16-37(35)31-19-23-33(24-20-31)45(40-27-28-44-42-39-15-5-6-18-41(39)46-43(40)42)34-25-21-32(22-26-34)38-17-8-12-30-10-2-4-14-36(30)38/h1-28H
InChIKeyMNBDZMWSTVCETO-UHFFFAOYSA-N
XLogP12.09
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.71
LogP ≤ 512.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-amine
CID 166861967
N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-amine
CID 166860859
N-naphthalen-2-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-4-amine
CID 163825151
4-([1]benzofuro[3,2-b]pyridin-4-yl)-N,N-bis(4-triphenylen-1-ylphenyl)aniline
CID 168765389
N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine
CID 166860815
N,N-bis(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130290124
N-(4-dibenzofuran-4-ylphenyl)-2-(2-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 155374408
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-9-amine
CID 155119875
N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804017
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-phenylaniline
CID 162494606
N-(4-dibenzofuran-1-ylphenyl)-2-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 170541911
4-dibenzofuran-4-yl-N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)naphthalen-2-amine
CID 131994064

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-naphthalen-1-ylphenyl)-[1]benzofuro[3,2-b]pyridin-4-amine?
The IUPAC name of N,N-bis(4-naphthalen-1-ylphenyl)-[1]benzofuro[3,2-b]pyridin-4-amine (CID 166861071) is N,N-bis(4-naphthalen-1-ylphenyl)-[1]benzofuro[3,2-b]pyridin-4-amine.
What is the SMILES notation for N,N-bis(4-naphthalen-1-ylphenyl)-[1]benzofuro[3,2-b]pyridin-4-amine?
The canonical SMILES for N,N-bis(4-naphthalen-1-ylphenyl)-[1]benzofuro[3,2-b]pyridin-4-amine is c1ccc2c(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccnc5c4oc4ccccc45)cc3)cccc2c1.
What is the InChIKey of N,N-bis(4-naphthalen-1-ylphenyl)-[1]benzofuro[3,2-b]pyridin-4-amine?
The InChIKey is MNBDZMWSTVCETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2O/c1-3-13-35-29(9-1)11-7-16-37(35)31-19-23-33(24-20-31)45(40-27-28-44-42-39-15-5-6-18-41(39)46-43(40)42)34-25-21-32(22-26-34)38-17-8-12-30-10-2-4-14-36(30)38/h1-28H.
What are the key properties of N,N-bis(4-naphthalen-1-ylphenyl)-[1]benzofuro[3,2-b]pyridin-4-amine?
N,N-bis(4-naphthalen-1-ylphenyl)-[1]benzofuro[3,2-b]pyridin-4-amine has a molecular weight of 588.71 g/mol, XLogP of 12.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-naphthalen-1-ylphenyl)-[1]benzofuro[3,2-b]pyridin-4-amine is sourced from PubChem (CID 166861071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).