N-(7-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-6-amine

C39H26N2O — CID 168738271

IUPACN-(7-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-6-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccc(-c5ccccc5)cc4c3)c3cccc4c3oc3cccnc34)cc2)cc1
InChIInChI=1S/C39H26N2O/c1-3-9-27(10-4-1)29-18-21-33(22-19-29)41(36-14-7-13-35-38-37(42-39(35)36)15-8-24-40-38)34-23-20-30-16-17-31(25-32(30)26-34)28-11-5-2-6-12-28/h1-26H
InChIKeyODIONWPDHVJFJP-UHFFFAOYSA-N
MW538.65 g/mol
LogP10.94
Rot. Bonds5

About N-(7-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-6-amine

N-(7-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-6-amine (PubChem CID 168738271) 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-b]pyridin-6-amine.

Molecular Properties

Compound NameN-(7-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-6-amine
PubChem CID168738271
Molecular FormulaC39H26N2O
Molecular Weight538.65 g/mol
Exact Mass538.20
IUPAC NameN-(7-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-6-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccc(-c5ccccc5)cc4c3)c3cccc4c3oc3cccnc34)cc2)cc1
InChIInChI=1S/C39H26N2O/c1-3-9-27(10-4-1)29-18-21-33(22-19-29)41(36-14-7-13-35-38-37(42-39(35)36)15-8-24-40-38)34-23-20-30-16-17-31(25-32(30)26-34)28-11-5-2-6-12-28/h1-26H
InChIKeyODIONWPDHVJFJP-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-phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-6-amine
CID 163825897
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridin-6-amine
CID 166861996
N-[3-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-4-yl)phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 167171709
N-(3-phenylphenyl)-N-(4-phenylphenyl)-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-5-amine
CID 167171774
N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 167086684
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 166566280
N-dibenzofuran-4-yl-N-(4-phenylphenyl)-17-oxa-15-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-5-amine
CID 167171670
N-(4-methylphenyl)-N-(16-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)dibenzofuran-4-amine
CID 166032751
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-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-7-amine
CID 170395135
N-[3-[3-[dibenzofuran-4-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 167086293

Frequently Asked Questions

What is the IUPAC name of N-(7-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-6-amine?
The IUPAC name of N-(7-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-6-amine (CID 168738271) is N-(7-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-6-amine.
What is the SMILES notation for N-(7-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-6-amine?
The canonical SMILES for N-(7-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-6-amine is c1ccc(-c2ccc(N(c3ccc4ccc(-c5ccccc5)cc4c3)c3cccc4c3oc3cccnc34)cc2)cc1.
What is the InChIKey of N-(7-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-6-amine?
The InChIKey is ODIONWPDHVJFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N2O/c1-3-9-27(10-4-1)29-18-21-33(22-19-29)41(36-14-7-13-35-38-37(42-39(35)36)15-8-24-40-38)34-23-20-30-16-17-31(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-b]pyridin-6-amine?
N-(7-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-6-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-b]pyridin-6-amine is sourced from PubChem (CID 168738271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).