N-(7-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine

C39H26N2O — CID 166861443

IUPACN-(7-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccc(-c5ccccc5)cc4c3)c3nccc4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C39H26N2O/c1-3-9-27(10-4-1)29-17-20-33(21-18-29)41(39-38-35-13-7-8-14-36(35)42-37(38)23-24-40-39)34-22-19-30-15-16-31(25-32(30)26-34)28-11-5-2-6-12-28/h1-26H
InChIKeyUDYPLALWNSCBFK-UHFFFAOYSA-N
MW538.65 g/mol
LogP10.94
Rot. Bonds5

About N-(7-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine

N-(7-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine (PubChem CID 166861443) has the molecular formula C39H26N2O and a molecular weight of 538.65 g/mol. Its IUPAC name is N-(7-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine.

Molecular Properties

Compound NameN-(7-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine
PubChem CID166861443
Molecular FormulaC39H26N2O
Molecular Weight538.65 g/mol
Exact Mass538.20
IUPAC NameN-(7-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccc(-c5ccccc5)cc4c3)c3nccc4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C39H26N2O/c1-3-9-27(10-4-1)29-17-20-33(21-18-29)41(39-38-35-13-7-8-14-36(35)42-37(38)23-24-40-39)34-22-19-30-15-16-31(25-32(30)26-34)28-11-5-2-6-12-28/h1-26H
InChIKeyUDYPLALWNSCBFK-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-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine
CID 166860815
N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 139352752
N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 154605841
N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069406
N-(6-naphthalen-2-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176587573
N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-7-phenyl-N-(2-phenylphenyl)naphthalen-2-amine
CID 170126954
N-naphthalen-2-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-4-amine
CID 163825151
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-8-amine
CID 166860593
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 166566100
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 170030394

Frequently Asked Questions

What is the IUPAC name of N-(7-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine?
The IUPAC name of N-(7-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine (CID 166861443) is N-(7-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine.
What is the SMILES notation for N-(7-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine?
The canonical SMILES for N-(7-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine is c1ccc(-c2ccc(N(c3ccc4ccc(-c5ccccc5)cc4c3)c3nccc4oc5ccccc5c34)cc2)cc1.
What is the InChIKey of N-(7-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine?
The InChIKey is UDYPLALWNSCBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N2O/c1-3-9-27(10-4-1)29-17-20-33(21-18-29)41(39-38-35-13-7-8-14-36(35)42-37(38)23-24-40-39)34-22-19-30-15-16-31(25-32(30)26-34)28-11-5-2-6-12-28/h1-26H.
What are the key properties of N-(7-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine?
N-(7-phenylnaphthalen-2-yl)-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-(7-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine is sourced from PubChem (CID 166861443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).