N-[4-([1]benzofuro[2,3-b]quinolin-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C45H30N2O — CID 121340920

IUPACN-[4-([1]benzofuro[2,3-b]quinolin-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5oc6nc7ccccc7cc6c5c4)cc3)cc2)cc1
InChIInChI=1S/C45H30N2O/c1-3-9-31(10-4-1)33-15-22-38(23-16-33)47(39-24-17-34(18-25-39)32-11-5-2-6-12-32)40-26-19-35(20-27-40)36-21-28-44-41(29-36)42-30-37-13-7-8-14-43(37)46-45(42)48-44/h1-30H
InChIKeyDRLFSHHFISPNQO-UHFFFAOYSA-N
MW614.75 g/mol
LogP12.60
Rot. Bonds6

About N-[4-([1]benzofuro[2,3-b]quinolin-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-([1]benzofuro[2,3-b]quinolin-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 121340920) has the molecular formula C45H30N2O and a molecular weight of 614.75 g/mol. Its IUPAC name is N-[4-([1]benzofuro[2,3-b]quinolin-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-([1]benzofuro[2,3-b]quinolin-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID121340920
Molecular FormulaC45H30N2O
Molecular Weight614.75 g/mol
Exact Mass614.24
IUPAC NameN-[4-([1]benzofuro[2,3-b]quinolin-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5oc6nc7ccccc7cc6c5c4)cc3)cc2)cc1
InChIInChI=1S/C45H30N2O/c1-3-9-31(10-4-1)33-15-22-38(23-16-33)47(39-24-17-34(18-25-39)32-11-5-2-6-12-32)40-26-19-35(20-27-40)36-21-28-44-41(29-36)42-30-37-13-7-8-14-43(37)46-45(42)48-44/h1-30H
InChIKeyDRLFSHHFISPNQO-UHFFFAOYSA-N
XLogP12.60
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.75
LogP ≤ 512.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-phenylphenyl)-[1]benzofuro[2,3-b]quinoline
CID 159518374
N,4-diphenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]aniline;4-phenyl-N,N-bis(4-phenylphenyl)aniline;4-phenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-[4-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 158000824
8-phenyl-N,N-bis(8-phenyldibenzofuran-2-yl)dibenzofuran-2-amine
CID 59470035
16-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine
CID 171050361
N,16-diphenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine
CID 171050312
N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 167123049
N,N-bis(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]aniline
CID 58510590
2-N,8-N-diphenyl-2-N,8-N-bis[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2,8-diamine
CID 145264524
3-N,3-N-bis(4-dibenzofuran-2-ylphenyl)-1-N,5-N-diphenyl-1-N,5-N-bis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118605075
N-[4-[8-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]phenyl]-N,4-diphenylaniline
CID 171754673
N-[4-[8-[4-(N-naphthalen-1-ylanilino)phenyl]dibenzofuran-2-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 130438409
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine
CID 118405802

Frequently Asked Questions

What is the IUPAC name of N-[4-([1]benzofuro[2,3-b]quinolin-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-([1]benzofuro[2,3-b]quinolin-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 121340920) is N-[4-([1]benzofuro[2,3-b]quinolin-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-([1]benzofuro[2,3-b]quinolin-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-([1]benzofuro[2,3-b]quinolin-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5oc6nc7ccccc7cc6c5c4)cc3)cc2)cc1.
What is the InChIKey of N-[4-([1]benzofuro[2,3-b]quinolin-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is DRLFSHHFISPNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N2O/c1-3-9-31(10-4-1)33-15-22-38(23-16-33)47(39-24-17-34(18-25-39)32-11-5-2-6-12-32)40-26-19-35(20-27-40)36-21-28-44-41(29-36)42-30-37-13-7-8-14-43(37)46-45(42)48-44/h1-30H.
What are the key properties of N-[4-([1]benzofuro[2,3-b]quinolin-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-([1]benzofuro[2,3-b]quinolin-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 614.75 g/mol, XLogP of 12.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-([1]benzofuro[2,3-b]quinolin-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 121340920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).