N-[4-([1]benzofuro[2,3-c]pyridin-4-yl)phenyl]-N-[6-(2,6-naphthyridin-3-yl)naphthalen-2-yl]-6-quinoxalin-6-ylnaphthalen-2-amine

C53H32N6O — CID 168765750

IUPACN-[4-([1]benzofuro[2,3-c]pyridin-4-yl)phenyl]-N-[6-(2,6-naphthyridin-3-yl)naphthalen-2-yl]-6-quinoxalin-6-ylnaphthalen-2-amine
SMILESc1ccc2c(c1)oc1cncc(-c3ccc(N(c4ccc5cc(-c6ccc7nccnc7c6)ccc5c4)c4ccc5cc(-c6cc7cnccc7cn6)ccc5c4)cc3)c12
InChIInChI=1S/C53H32N6O/c1-2-4-51-46(3-1)53-47(31-55-32-52(53)60-51)33-9-14-43(15-10-33)59(44-16-11-35-23-34(5-6-37(35)25-44)39-13-18-48-50(27-39)57-22-21-56-48)45-17-12-36-24-40(8-7-38(36)26-45)49-28-42-29-54-20-19-41(42)30-58-49/h1-32H
InChIKeyMZQNRGJTFSLQNQ-UHFFFAOYSA-N
MW768.88 g/mol
LogP13.64
Rot. Bonds6

About N-[4-([1]benzofuro[2,3-c]pyridin-4-yl)phenyl]-N-[6-(2,6-naphthyridin-3-yl)naphthalen-2-yl]-6-quinoxalin-6-ylnaphthalen-2-amine

N-[4-([1]benzofuro[2,3-c]pyridin-4-yl)phenyl]-N-[6-(2,6-naphthyridin-3-yl)naphthalen-2-yl]-6-quinoxalin-6-ylnaphthalen-2-amine (PubChem CID 168765750) has the molecular formula C53H32N6O and a molecular weight of 768.88 g/mol. Its IUPAC name is N-[4-([1]benzofuro[2,3-c]pyridin-4-yl)phenyl]-N-[6-(2,6-naphthyridin-3-yl)naphthalen-2-yl]-6-quinoxalin-6-ylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[4-([1]benzofuro[2,3-c]pyridin-4-yl)phenyl]-N-[6-(2,6-naphthyridin-3-yl)naphthalen-2-yl]-6-quinoxalin-6-ylnaphthalen-2-amine
PubChem CID168765750
Molecular FormulaC53H32N6O
Molecular Weight768.88 g/mol
Exact Mass768.26
IUPAC NameN-[4-([1]benzofuro[2,3-c]pyridin-4-yl)phenyl]-N-[6-(2,6-naphthyridin-3-yl)naphthalen-2-yl]-6-quinoxalin-6-ylnaphthalen-2-amine
SMILESc1ccc2c(c1)oc1cncc(-c3ccc(N(c4ccc5cc(-c6ccc7nccnc7c6)ccc5c4)c4ccc5cc(-c6cc7cnccc7cn6)ccc5c4)cc3)c12
InChIInChI=1S/C53H32N6O/c1-2-4-51-46(3-1)53-47(31-55-32-52(53)60-51)33-9-14-43(15-10-33)59(44-16-11-35-23-34(5-6-37(35)25-44)39-13-18-48-50(27-39)57-22-21-56-48)45-17-12-36-24-40(8-7-38(36)26-45)49-28-42-29-54-20-19-41(42)30-58-49/h1-32H
InChIKeyMZQNRGJTFSLQNQ-UHFFFAOYSA-N
XLogP13.64
TPSA80.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.88
LogP ≤ 513.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[4-([1]benzofuro[2,3-c]pyridin-4-yl)phenyl]-N-[6-(2,6-naphthyridin-3-yl)naphthalen-2-yl]-6-quinoxalin-6-ylnaphthalen-2-amine with MolForge

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Related Compounds

N-[4-([1]benzofuro[3,2-c]pyridin-3-yl)phenyl]-4-quinoxalin-6-yl-N-(4-quinoxalin-6-ylphenyl)aniline
CID 168765765
7-isoquinolin-3-yl-N,N-bis(4-quinolin-6-ylphenyl)phenanthren-2-amine
CID 170404787
N-[4-([1]benzofuro[3,2-c]pyridin-3-yl)phenyl]-4-(1,6-naphthyridin-2-yl)-N-[4-(1,6-naphthyridin-2-yl)phenyl]aniline
CID 168765730
N-[4-([1]benzofuro[3,2-c]pyridin-3-yl)phenyl]-4-(1,7-naphthyridin-2-yl)-N-[4-(1,7-naphthyridin-2-yl)phenyl]aniline
CID 168765866
N-[4-([1]benzofuro[2,3-b]pyridin-2-yl)phenyl]-7-isoquinolin-3-yl-N-(4-quinoxalin-2-ylphenyl)phenanthren-2-amine
CID 170404781
N-[4-([1]benzofuro[3,2-b]pyridin-2-yl)phenyl]-4-isoquinolin-6-yl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]aniline
CID 171463370
N-[4-([1]benzofuro[2,3-b]pyridin-2-yl)phenyl]-7-isoquinolin-3-yl-N-(4-quinazolin-2-ylphenyl)phenanthren-2-amine
CID 170404782
N-[4-([1]benzofuro[2,3-b]pyridin-2-yl)phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-isoquinolin-3-ylphenanthren-2-amine
CID 170404773
7-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-phenylisoquinoline
CID 174302135
6-isoquinolin-3-yl-N-phenyl-N-[4-(4-phenyl-1,5-naphthyridin-2-yl)phenyl]naphthalen-2-amine
CID 171463450
N-(4-dibenzofuran-1-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenylaniline
CID 166566303
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenylaniline
CID 166565631

Frequently Asked Questions

What is the IUPAC name of N-[4-([1]benzofuro[2,3-c]pyridin-4-yl)phenyl]-N-[6-(2,6-naphthyridin-3-yl)naphthalen-2-yl]-6-quinoxalin-6-ylnaphthalen-2-amine?
The IUPAC name of N-[4-([1]benzofuro[2,3-c]pyridin-4-yl)phenyl]-N-[6-(2,6-naphthyridin-3-yl)naphthalen-2-yl]-6-quinoxalin-6-ylnaphthalen-2-amine (CID 168765750) is N-[4-([1]benzofuro[2,3-c]pyridin-4-yl)phenyl]-N-[6-(2,6-naphthyridin-3-yl)naphthalen-2-yl]-6-quinoxalin-6-ylnaphthalen-2-amine.
What is the SMILES notation for N-[4-([1]benzofuro[2,3-c]pyridin-4-yl)phenyl]-N-[6-(2,6-naphthyridin-3-yl)naphthalen-2-yl]-6-quinoxalin-6-ylnaphthalen-2-amine?
The canonical SMILES for N-[4-([1]benzofuro[2,3-c]pyridin-4-yl)phenyl]-N-[6-(2,6-naphthyridin-3-yl)naphthalen-2-yl]-6-quinoxalin-6-ylnaphthalen-2-amine is c1ccc2c(c1)oc1cncc(-c3ccc(N(c4ccc5cc(-c6ccc7nccnc7c6)ccc5c4)c4ccc5cc(-c6cc7cnccc7cn6)ccc5c4)cc3)c12.
What is the InChIKey of N-[4-([1]benzofuro[2,3-c]pyridin-4-yl)phenyl]-N-[6-(2,6-naphthyridin-3-yl)naphthalen-2-yl]-6-quinoxalin-6-ylnaphthalen-2-amine?
The InChIKey is MZQNRGJTFSLQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N6O/c1-2-4-51-46(3-1)53-47(31-55-32-52(53)60-51)33-9-14-43(15-10-33)59(44-16-11-35-23-34(5-6-37(35)25-44)39-13-18-48-50(27-39)57-22-21-56-48)45-17-12-36-24-40(8-7-38(36)26-45)49-28-42-29-54-20-19-41(42)30-58-49/h1-32H.
What are the key properties of N-[4-([1]benzofuro[2,3-c]pyridin-4-yl)phenyl]-N-[6-(2,6-naphthyridin-3-yl)naphthalen-2-yl]-6-quinoxalin-6-ylnaphthalen-2-amine?
N-[4-([1]benzofuro[2,3-c]pyridin-4-yl)phenyl]-N-[6-(2,6-naphthyridin-3-yl)naphthalen-2-yl]-6-quinoxalin-6-ylnaphthalen-2-amine has a molecular weight of 768.88 g/mol, XLogP of 13.64, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-([1]benzofuro[2,3-c]pyridin-4-yl)phenyl]-N-[6-(2,6-naphthyridin-3-yl)naphthalen-2-yl]-6-quinoxalin-6-ylnaphthalen-2-amine is sourced from PubChem (CID 168765750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).