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

C39H26N2O — CID 166860815

IUPACN-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3nccc4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C39H26N2O/c1-2-9-27(10-3-1)28-17-21-31(22-18-28)41(39-38-35-14-6-7-16-36(35)42-37(38)25-26-40-39)32-23-19-30(20-24-32)34-15-8-12-29-11-4-5-13-33(29)34/h1-26H
InChIKeyNZZHQZWKGFITRS-UHFFFAOYSA-N
MW538.65 g/mol
LogP10.94
Rot. Bonds5

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

N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine (PubChem CID 166860815) has the molecular formula C39H26N2O and a molecular weight of 538.65 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine
PubChem CID166860815
Molecular FormulaC39H26N2O
Molecular Weight538.65 g/mol
Exact Mass538.20
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3nccc4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C39H26N2O/c1-2-9-27(10-3-1)28-17-21-31(22-18-28)41(39-38-35-14-6-7-16-36(35)42-37(38)25-26-40-39)32-23-19-30(20-24-32)34-15-8-12-29-11-4-5-13-33(29)34/h1-26H
InChIKeyNZZHQZWKGFITRS-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-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine
CID 163540753
N-(4-phenylphenyl)-N-(4-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine
CID 166861605
N-(7-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine
CID 166861443
N-(4-dibenzofuran-1-ylphenyl)-2-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 170541911
N-(4-dibenzofuran-1-ylphenyl)-5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
CID 167234839
N-(3-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810710
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3,4-diphenylaniline
CID 170541898
N,N-bis(4-naphthalen-1-ylphenyl)-[1]benzofuro[3,2-b]pyridin-4-amine
CID 166861071
4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 168848086
N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157368464
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
CID 170535027
N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312036

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine (CID 166860815) is N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3nccc4oc5ccccc5c34)cc2)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine?
The InChIKey is NZZHQZWKGFITRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N2O/c1-2-9-27(10-3-1)28-17-21-31(22-18-28)41(39-38-35-14-6-7-16-36(35)42-37(38)25-26-40-39)32-23-19-30(20-24-32)34-15-8-12-29-11-4-5-13-33(29)34/h1-26H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine?
N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-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-1-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine is sourced from PubChem (CID 166860815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).