N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-(4-quinolin-2-ylphenyl)aniline

C49H32N2O2 — CID 166960292

IUPACN,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-(4-quinolin-2-ylphenyl)aniline
SMILESc1ccc2nc(-c3ccc(-c4ccc(N(c5ccc(-c6cc7ccccc7o6)cc5)c5ccc(-c6cc7ccccc7o6)cc5)cc4)cc3)ccc2c1
InChIInChI=1S/C49H32N2O2/c1-4-10-44-35(7-1)23-30-45(50-44)36-15-13-33(14-16-36)34-17-24-41(25-18-34)51(42-26-19-37(20-27-42)48-31-39-8-2-5-11-46(39)52-48)43-28-21-38(22-29-43)49-32-40-9-3-6-12-47(40)53-49/h1-32H
InChIKeyLRYYLLXCHXODSP-UHFFFAOYSA-N
MW680.81 g/mol
LogP13.86
Rot. Bonds7

About N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-(4-quinolin-2-ylphenyl)aniline

N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-(4-quinolin-2-ylphenyl)aniline (PubChem CID 166960292) has the molecular formula C49H32N2O2 and a molecular weight of 680.81 g/mol. Its IUPAC name is N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-(4-quinolin-2-ylphenyl)aniline.

Molecular Properties

Compound NameN,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-(4-quinolin-2-ylphenyl)aniline
PubChem CID166960292
Molecular FormulaC49H32N2O2
Molecular Weight680.81 g/mol
Exact Mass680.25
IUPAC NameN,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-(4-quinolin-2-ylphenyl)aniline
SMILESc1ccc2nc(-c3ccc(-c4ccc(N(c5ccc(-c6cc7ccccc7o6)cc5)c5ccc(-c6cc7ccccc7o6)cc5)cc4)cc3)ccc2c1
InChIInChI=1S/C49H32N2O2/c1-4-10-44-35(7-1)23-30-45(50-44)36-15-13-33(14-16-36)34-17-24-41(25-18-34)51(42-26-19-37(20-27-42)48-31-39-8-2-5-11-46(39)52-48)43-28-21-38(22-29-43)49-32-40-9-3-6-12-47(40)53-49/h1-32H
InChIKeyLRYYLLXCHXODSP-UHFFFAOYSA-N
XLogP13.86
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.81
LogP ≤ 513.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenylaniline
CID 164744662
4-(1-benzofuran-2-yl)-N,N-diphenylaniline
CID 139080403
N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenylaniline;N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-naphthalen-2-ylaniline;N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-(4-naphthalen-2-ylphenyl)aniline;N,4-bis[4-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
CID 165046109
N,N-bis[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]naphthalen-2-amine;N,N-bis[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenylaniline
CID 165085656
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170398057
N-[4-([1]benzofuro[3,2-c]pyridin-3-yl)phenyl]-4-quinolin-2-yl-N-(4-quinolin-2-ylphenyl)aniline
CID 168765879
3-(1-benzofuran-2-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 170398679
3-(1-benzofuran-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170398602
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 170526268
N-[4-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170399541
N-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenylaniline
CID 170398637
N-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 170398550

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-(4-quinolin-2-ylphenyl)aniline?
The IUPAC name of N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-(4-quinolin-2-ylphenyl)aniline (CID 166960292) is N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-(4-quinolin-2-ylphenyl)aniline.
What is the SMILES notation for N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-(4-quinolin-2-ylphenyl)aniline?
The canonical SMILES for N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-(4-quinolin-2-ylphenyl)aniline is c1ccc2nc(-c3ccc(-c4ccc(N(c5ccc(-c6cc7ccccc7o6)cc5)c5ccc(-c6cc7ccccc7o6)cc5)cc4)cc3)ccc2c1.
What is the InChIKey of N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-(4-quinolin-2-ylphenyl)aniline?
The InChIKey is LRYYLLXCHXODSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2O2/c1-4-10-44-35(7-1)23-30-45(50-44)36-15-13-33(14-16-36)34-17-24-41(25-18-34)51(42-26-19-37(20-27-42)48-31-39-8-2-5-11-46(39)52-48)43-28-21-38(22-29-43)49-32-40-9-3-6-12-47(40)53-49/h1-32H.
What are the key properties of N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-(4-quinolin-2-ylphenyl)aniline?
N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-(4-quinolin-2-ylphenyl)aniline has a molecular weight of 680.81 g/mol, XLogP of 13.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-(4-quinolin-2-ylphenyl)aniline is sourced from PubChem (CID 166960292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).