N-[4-([1]benzofuro[3,2-c]pyridin-3-yl)phenyl]-4-quinoxalin-6-yl-N-(4-quinoxalin-6-ylphenyl)aniline

C45H28N6O — CID 168765765

IUPACN-[4-([1]benzofuro[3,2-c]pyridin-3-yl)phenyl]-4-quinoxalin-6-yl-N-(4-quinoxalin-6-ylphenyl)aniline
SMILESc1ccc2c(c1)oc1cc(-c3ccc(N(c4ccc(-c5ccc6nccnc6c5)cc4)c4ccc(-c5ccc6nccnc6c5)cc4)cc3)ncc12
InChIInChI=1S/C45H28N6O/c1-2-4-44-37(3-1)38-28-50-41(27-45(38)52-44)31-9-17-36(18-10-31)51(34-13-5-29(6-14-34)32-11-19-39-42(25-32)48-23-21-46-39)35-15-7-30(8-16-35)33-12-20-40-43(26-33)49-24-22-47-40/h1-28H
InChIKeyJJRSNGQSDOSZDX-UHFFFAOYSA-N
MW668.76 g/mol
LogP11.34
Rot. Bonds6

About N-[4-([1]benzofuro[3,2-c]pyridin-3-yl)phenyl]-4-quinoxalin-6-yl-N-(4-quinoxalin-6-ylphenyl)aniline

N-[4-([1]benzofuro[3,2-c]pyridin-3-yl)phenyl]-4-quinoxalin-6-yl-N-(4-quinoxalin-6-ylphenyl)aniline (PubChem CID 168765765) has the molecular formula C45H28N6O and a molecular weight of 668.76 g/mol. Its IUPAC name is N-[4-([1]benzofuro[3,2-c]pyridin-3-yl)phenyl]-4-quinoxalin-6-yl-N-(4-quinoxalin-6-ylphenyl)aniline.

Molecular Properties

Compound NameN-[4-([1]benzofuro[3,2-c]pyridin-3-yl)phenyl]-4-quinoxalin-6-yl-N-(4-quinoxalin-6-ylphenyl)aniline
PubChem CID168765765
Molecular FormulaC45H28N6O
Molecular Weight668.76 g/mol
Exact Mass668.23
IUPAC NameN-[4-([1]benzofuro[3,2-c]pyridin-3-yl)phenyl]-4-quinoxalin-6-yl-N-(4-quinoxalin-6-ylphenyl)aniline
SMILESc1ccc2c(c1)oc1cc(-c3ccc(N(c4ccc(-c5ccc6nccnc6c5)cc4)c4ccc(-c5ccc6nccnc6c5)cc4)cc3)ncc12
InChIInChI=1S/C45H28N6O/c1-2-4-44-37(3-1)38-28-50-41(27-45(38)52-44)31-9-17-36(18-10-31)51(34-13-5-29(6-14-34)32-11-19-39-42(25-32)48-23-21-46-39)35-15-7-30(8-16-35)33-12-20-40-43(26-33)49-24-22-47-40/h1-28H
InChIKeyJJRSNGQSDOSZDX-UHFFFAOYSA-N
XLogP11.34
TPSA80.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.76
LogP ≤ 511.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-([1]benzofuro[3,2-c]pyridin-3-yl)phenyl]-4-quinolin-2-yl-N-(4-quinolin-2-ylphenyl)aniline
CID 168765879
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[3,2-c]pyridin-3-yl)phenyl]-4-(1,8-naphthyridin-3-yl)-N-[4-(1,8-naphthyridin-3-yl)phenyl]aniline
CID 168765543
5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-bis(4-phenylphenyl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine
CID 164813341
N,N-bis(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]aniline
CID 58510590
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
4-([1]benzofuro[2,3-b]pyridin-7-yl)-N,N-bis[4-(1,5-naphthyridin-3-yl)phenyl]aniline
CID 168765872
4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis[4-(1,7-naphthyridin-6-yl)phenyl]aniline
CID 168765452
N-[4-([1]benzofuro[3,2-c]pyridin-3-yl)phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(8-phenyl-1,7-naphthyridin-6-yl)aniline
CID 171463296
N-[4-([1]benzofuro[2,3-b]pyridin-3-yl)phenyl]-4-dibenzofuran-3-yl-N-(4-dibenzofuran-3-ylphenyl)aniline
CID 168765502
4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis[4-(1,6-naphthyridin-7-yl)phenyl]aniline
CID 168765499

Frequently Asked Questions

What is the IUPAC name of N-[4-([1]benzofuro[3,2-c]pyridin-3-yl)phenyl]-4-quinoxalin-6-yl-N-(4-quinoxalin-6-ylphenyl)aniline?
The IUPAC name of N-[4-([1]benzofuro[3,2-c]pyridin-3-yl)phenyl]-4-quinoxalin-6-yl-N-(4-quinoxalin-6-ylphenyl)aniline (CID 168765765) is N-[4-([1]benzofuro[3,2-c]pyridin-3-yl)phenyl]-4-quinoxalin-6-yl-N-(4-quinoxalin-6-ylphenyl)aniline.
What is the SMILES notation for N-[4-([1]benzofuro[3,2-c]pyridin-3-yl)phenyl]-4-quinoxalin-6-yl-N-(4-quinoxalin-6-ylphenyl)aniline?
The canonical SMILES for N-[4-([1]benzofuro[3,2-c]pyridin-3-yl)phenyl]-4-quinoxalin-6-yl-N-(4-quinoxalin-6-ylphenyl)aniline is c1ccc2c(c1)oc1cc(-c3ccc(N(c4ccc(-c5ccc6nccnc6c5)cc4)c4ccc(-c5ccc6nccnc6c5)cc4)cc3)ncc12.
What is the InChIKey of N-[4-([1]benzofuro[3,2-c]pyridin-3-yl)phenyl]-4-quinoxalin-6-yl-N-(4-quinoxalin-6-ylphenyl)aniline?
The InChIKey is JJRSNGQSDOSZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N6O/c1-2-4-44-37(3-1)38-28-50-41(27-45(38)52-44)31-9-17-36(18-10-31)51(34-13-5-29(6-14-34)32-11-19-39-42(25-32)48-23-21-46-39)35-15-7-30(8-16-35)33-12-20-40-43(26-33)49-24-22-47-40/h1-28H.
What are the key properties of N-[4-([1]benzofuro[3,2-c]pyridin-3-yl)phenyl]-4-quinoxalin-6-yl-N-(4-quinoxalin-6-ylphenyl)aniline?
N-[4-([1]benzofuro[3,2-c]pyridin-3-yl)phenyl]-4-quinoxalin-6-yl-N-(4-quinoxalin-6-ylphenyl)aniline has a molecular weight of 668.76 g/mol, XLogP of 11.34, 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[3,2-c]pyridin-3-yl)phenyl]-4-quinoxalin-6-yl-N-(4-quinoxalin-6-ylphenyl)aniline is sourced from PubChem (CID 168765765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).