N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-8-amine

C39H26N2O — CID 166860593

IUPACN-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-8-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4oc5cccnc5c4c3)cc2)cc1
InChIInChI=1S/C39H26N2O/c1-2-7-27(8-3-1)29-14-18-33(19-15-29)41(35-22-23-37-36(26-35)39-38(42-37)11-6-24-40-39)34-20-16-30(17-21-34)32-13-12-28-9-4-5-10-31(28)25-32/h1-26H
InChIKeyDMKKEGJSCPLWER-UHFFFAOYSA-N
MW538.65 g/mol
LogP10.94
Rot. Bonds5

About N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-8-amine

N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-8-amine (PubChem CID 166860593) 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[3,2-b]pyridin-8-amine.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-8-amine
PubChem CID166860593
Molecular FormulaC39H26N2O
Molecular Weight538.65 g/mol
Exact Mass538.20
IUPAC NameN-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-8-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4oc5cccnc5c4c3)cc2)cc1
InChIInChI=1S/C39H26N2O/c1-2-7-27(8-3-1)29-14-18-33(19-15-29)41(35-22-23-37-36(26-35)39-38(42-37)11-6-24-40-39)34-20-16-30(17-21-34)32-13-12-28-9-4-5-10-31(28)25-32/h1-26H
InChIKeyDMKKEGJSCPLWER-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,N-bis(4-naphthalen-2-ylphenyl)-[1]benzofuro[3,2-b]pyridin-7-amine
CID 166861055
N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-8-amine
CID 166862183
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 170030394
N-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 121325434
N-(6-naphthalen-2-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176587573
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenyldibenzofuran-2-amine
CID 174256821
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine
CID 118405802
N-(7-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-6-amine
CID 168738271
N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 170030395
N-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-3-phenylnaphtho[2,1-b][1]benzofuran-10-amine
CID 177130873
8-N-dibenzofuran-3-yl-8-N-(4-naphthalen-2-ylphenyl)-2-N,2-N-diphenyldibenzofuran-2,8-diamine
CID 146576029
3-dibenzofuran-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 170535051

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-8-amine?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-8-amine (CID 166860593) is N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-8-amine.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-8-amine?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-8-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4oc5cccnc5c4c3)cc2)cc1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-8-amine?
The InChIKey is DMKKEGJSCPLWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N2O/c1-2-7-27(8-3-1)29-14-18-33(19-15-29)41(35-22-23-37-36(26-35)39-38(42-37)11-6-24-40-39)34-20-16-30(17-21-34)32-13-12-28-9-4-5-10-31(28)25-32/h1-26H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-8-amine?
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-8-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[3,2-b]pyridin-8-amine is sourced from PubChem (CID 166860593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).