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

C47H30N4O — CID 168765879

IUPACN-[4-([1]benzofuro[3,2-c]pyridin-3-yl)phenyl]-4-quinolin-2-yl-N-(4-quinolin-2-ylphenyl)aniline
SMILESc1ccc2nc(-c3ccc(N(c4ccc(-c5cc6oc7ccccc7c6cn5)cc4)c4ccc(-c5ccc6ccccc6n5)cc4)cc3)ccc2c1
InChIInChI=1S/C47H30N4O/c1-4-10-41-31(7-1)19-27-43(49-41)33-13-21-36(22-14-33)51(37-23-15-34(16-24-37)44-28-20-32-8-2-5-11-42(32)50-44)38-25-17-35(18-26-38)45-29-47-40(30-48-45)39-9-3-6-12-46(39)52-47/h1-30H
InChIKeyUPZBYSWXERFURL-UHFFFAOYSA-N
MW666.78 g/mol
LogP12.55
Rot. Bonds6

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

N-[4-([1]benzofuro[3,2-c]pyridin-3-yl)phenyl]-4-quinolin-2-yl-N-(4-quinolin-2-ylphenyl)aniline (PubChem CID 168765879) has the molecular formula C47H30N4O and a molecular weight of 666.78 g/mol. Its IUPAC name is N-[4-([1]benzofuro[3,2-c]pyridin-3-yl)phenyl]-4-quinolin-2-yl-N-(4-quinolin-2-ylphenyl)aniline.

Molecular Properties

Compound NameN-[4-([1]benzofuro[3,2-c]pyridin-3-yl)phenyl]-4-quinolin-2-yl-N-(4-quinolin-2-ylphenyl)aniline
PubChem CID168765879
Molecular FormulaC47H30N4O
Molecular Weight666.78 g/mol
Exact Mass666.24
IUPAC NameN-[4-([1]benzofuro[3,2-c]pyridin-3-yl)phenyl]-4-quinolin-2-yl-N-(4-quinolin-2-ylphenyl)aniline
SMILESc1ccc2nc(-c3ccc(N(c4ccc(-c5cc6oc7ccccc7c6cn5)cc4)c4ccc(-c5ccc6ccccc6n5)cc4)cc3)ccc2c1
InChIInChI=1S/C47H30N4O/c1-4-10-41-31(7-1)19-27-43(49-41)33-13-21-36(22-14-33)51(37-23-15-34(16-24-37)44-28-20-32-8-2-5-11-42(32)50-44)38-25-17-35(18-26-38)45-29-47-40(30-48-45)39-9-3-6-12-46(39)52-47/h1-30H
InChIKeyUPZBYSWXERFURL-UHFFFAOYSA-N
XLogP12.55
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.78
LogP ≤ 512.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-quinoxalin-6-yl-N-(4-quinoxalin-6-ylphenyl)aniline
CID 168765765
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
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,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-(4-quinolin-2-ylphenyl)aniline
CID 166960292
4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis[4-(1,7-naphthyridin-6-yl)phenyl]aniline
CID 168765452
4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis(4-quinolin-3-ylphenyl)aniline
CID 168765379
4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis[4-(1,6-naphthyridin-7-yl)phenyl]aniline
CID 168765499
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[2,3-b]pyridin-2-yl)phenyl]-7-isoquinolin-3-yl-N-(4-quinazolin-2-ylphenyl)phenanthren-2-amine
CID 170404782
4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis[4-([1]benzofuro[2,3-b]pyridin-2-yl)phenyl]aniline
CID 168765645

Frequently Asked Questions

What is the IUPAC name of N-[4-([1]benzofuro[3,2-c]pyridin-3-yl)phenyl]-4-quinolin-2-yl-N-(4-quinolin-2-ylphenyl)aniline?
The IUPAC name of N-[4-([1]benzofuro[3,2-c]pyridin-3-yl)phenyl]-4-quinolin-2-yl-N-(4-quinolin-2-ylphenyl)aniline (CID 168765879) is N-[4-([1]benzofuro[3,2-c]pyridin-3-yl)phenyl]-4-quinolin-2-yl-N-(4-quinolin-2-ylphenyl)aniline.
What is the SMILES notation for N-[4-([1]benzofuro[3,2-c]pyridin-3-yl)phenyl]-4-quinolin-2-yl-N-(4-quinolin-2-ylphenyl)aniline?
The canonical SMILES for N-[4-([1]benzofuro[3,2-c]pyridin-3-yl)phenyl]-4-quinolin-2-yl-N-(4-quinolin-2-ylphenyl)aniline is c1ccc2nc(-c3ccc(N(c4ccc(-c5cc6oc7ccccc7c6cn5)cc4)c4ccc(-c5ccc6ccccc6n5)cc4)cc3)ccc2c1.
What is the InChIKey of N-[4-([1]benzofuro[3,2-c]pyridin-3-yl)phenyl]-4-quinolin-2-yl-N-(4-quinolin-2-ylphenyl)aniline?
The InChIKey is UPZBYSWXERFURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N4O/c1-4-10-41-31(7-1)19-27-43(49-41)33-13-21-36(22-14-33)51(37-23-15-34(16-24-37)44-28-20-32-8-2-5-11-42(32)50-44)38-25-17-35(18-26-38)45-29-47-40(30-48-45)39-9-3-6-12-46(39)52-47/h1-30H.
What are the key properties of N-[4-([1]benzofuro[3,2-c]pyridin-3-yl)phenyl]-4-quinolin-2-yl-N-(4-quinolin-2-ylphenyl)aniline?
N-[4-([1]benzofuro[3,2-c]pyridin-3-yl)phenyl]-4-quinolin-2-yl-N-(4-quinolin-2-ylphenyl)aniline has a molecular weight of 666.78 g/mol, XLogP of 12.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-([1]benzofuro[3,2-c]pyridin-3-yl)phenyl]-4-quinolin-2-yl-N-(4-quinolin-2-ylphenyl)aniline is sourced from PubChem (CID 168765879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).