6-([1]benzofuro[3,2-b]quinoxalin-3-yl)-N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine

C50H29N5O3 — CID 168765740

IUPAC6-([1]benzofuro[3,2-b]quinoxalin-3-yl)-N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine
SMILESc1ccc2nc3c(nc2c1)oc1cc(-c2ccc4cc(N(c5ccc(-c6nc7ccccc7o6)cc5)c5ccc(-c6nc7ccccc7o6)cc5)ccc4c2)ccc13
InChIInChI=1S/C50H29N5O3/c1-2-8-41-40(7-1)51-47-39-26-20-35(29-46(39)58-50(47)52-41)32-13-14-34-28-38(25-19-33(34)27-32)55(36-21-15-30(16-22-36)48-53-42-9-3-5-11-44(42)56-48)37-23-17-31(18-24-37)49-54-43-10-4-6-12-45(43)57-49/h1-29H
InChIKeyUPIHFWQSTNKBEC-UHFFFAOYSA-N
MW747.81 g/mol
LogP13.44
Rot. Bonds6

About 6-([1]benzofuro[3,2-b]quinoxalin-3-yl)-N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine

6-([1]benzofuro[3,2-b]quinoxalin-3-yl)-N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine (PubChem CID 168765740) has the molecular formula C50H29N5O3 and a molecular weight of 747.81 g/mol. Its IUPAC name is 6-([1]benzofuro[3,2-b]quinoxalin-3-yl)-N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine.

Molecular Properties

Compound Name6-([1]benzofuro[3,2-b]quinoxalin-3-yl)-N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine
PubChem CID168765740
Molecular FormulaC50H29N5O3
Molecular Weight747.81 g/mol
Exact Mass747.23
IUPAC Name6-([1]benzofuro[3,2-b]quinoxalin-3-yl)-N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine
SMILESc1ccc2nc3c(nc2c1)oc1cc(-c2ccc4cc(N(c5ccc(-c6nc7ccccc7o6)cc5)c5ccc(-c6nc7ccccc7o6)cc5)ccc4c2)ccc13
InChIInChI=1S/C50H29N5O3/c1-2-8-41-40(7-1)51-47-39-26-20-35(29-46(39)58-50(47)52-41)32-13-14-34-28-38(25-19-33(34)27-32)55(36-21-15-30(16-22-36)48-53-42-9-3-5-11-44(42)56-48)37-23-17-31(18-24-37)49-54-43-10-4-6-12-45(43)57-49/h1-29H
InChIKeyUPIHFWQSTNKBEC-UHFFFAOYSA-N
XLogP13.44
TPSA94.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.81
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-([1]benzofuro[3,2-b]quinoxalin-3-yl)-N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]phenanthren-2-amine
CID 155402825
N-[4-(4-anthracen-2-ylphenyl)phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]naphthalen-2-amine
CID 165150218
N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-(4-cinnolin-4-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine
CID 170404598
4-[4-[7-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]phenyl]-N,N-diphenylaniline
CID 171755146
7-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-N-dibenzofuran-2-yl-2-N,7-N-bis(4-phenylphenyl)phenanthrene-2,7-diamine
CID 171736391
7-(benzotriazol-2-yl)-N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]phenanthren-2-amine
CID 170404811
7-[6-[4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino]naphthalen-2-yl]dibenzothiophene-3-carbonitrile
CID 164711090
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
N,N-bis(4-benzo[f][1,3]benzoxazol-2-ylphenyl)-4-(1,3-benzoxazol-2-yl)aniline
CID 163542114
N-(6-phenanthren-3-ylnaphthalen-2-yl)-2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-1,3-benzoxazol-6-amine
CID 164939222
N,N-bis[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]dibenzofuran-3-amine
CID 170716713
6-naphthalen-2-yl-N,N-bis(4-naphtho[2,1-f][1,3]benzoxazol-9-ylphenyl)naphthalen-2-amine
CID 164939320

Frequently Asked Questions

What is the IUPAC name of 6-([1]benzofuro[3,2-b]quinoxalin-3-yl)-N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine?
The IUPAC name of 6-([1]benzofuro[3,2-b]quinoxalin-3-yl)-N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine (CID 168765740) is 6-([1]benzofuro[3,2-b]quinoxalin-3-yl)-N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine.
What is the SMILES notation for 6-([1]benzofuro[3,2-b]quinoxalin-3-yl)-N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine?
The canonical SMILES for 6-([1]benzofuro[3,2-b]quinoxalin-3-yl)-N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine is c1ccc2nc3c(nc2c1)oc1cc(-c2ccc4cc(N(c5ccc(-c6nc7ccccc7o6)cc5)c5ccc(-c6nc7ccccc7o6)cc5)ccc4c2)ccc13.
What is the InChIKey of 6-([1]benzofuro[3,2-b]quinoxalin-3-yl)-N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine?
The InChIKey is UPIHFWQSTNKBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N5O3/c1-2-8-41-40(7-1)51-47-39-26-20-35(29-46(39)58-50(47)52-41)32-13-14-34-28-38(25-19-33(34)27-32)55(36-21-15-30(16-22-36)48-53-42-9-3-5-11-44(42)56-48)37-23-17-31(18-24-37)49-54-43-10-4-6-12-45(43)57-49/h1-29H.
What are the key properties of 6-([1]benzofuro[3,2-b]quinoxalin-3-yl)-N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine?
6-([1]benzofuro[3,2-b]quinoxalin-3-yl)-N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine has a molecular weight of 747.81 g/mol, XLogP of 13.44, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-([1]benzofuro[3,2-b]quinoxalin-3-yl)-N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine is sourced from PubChem (CID 168765740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).