4-[3-(1,3-benzoxazol-2-yl)naphtho[2,3-b][1]benzofuran-2-yl]-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine

C51H32N2O2 — CID 171755170

IUPAC4-[3-(1,3-benzoxazol-2-yl)naphtho[2,3-b][1]benzofuran-2-yl]-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc5c(cc4-c4nc6ccccc6o4)oc4cc6ccccc6cc45)c4ccccc34)cc2)cc1
InChIInChI=1S/C51H32N2O2/c1-3-13-33(14-4-1)34-23-25-38(26-24-34)53(37-17-5-2-6-18-37)47-28-27-40(39-19-9-10-20-41(39)47)42-31-44-43-29-35-15-7-8-16-36(35)30-49(43)54-50(44)32-45(42)51-52-46-21-11-12-22-48(46)55-51/h1-32H
InChIKeyVWMVPVAYZDAJLL-UHFFFAOYSA-N
MW704.83 g/mol
LogP14.50
Rot. Bonds6

About 4-[3-(1,3-benzoxazol-2-yl)naphtho[2,3-b][1]benzofuran-2-yl]-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine

4-[3-(1,3-benzoxazol-2-yl)naphtho[2,3-b][1]benzofuran-2-yl]-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine (PubChem CID 171755170) has the molecular formula C51H32N2O2 and a molecular weight of 704.83 g/mol. Its IUPAC name is 4-[3-(1,3-benzoxazol-2-yl)naphtho[2,3-b][1]benzofuran-2-yl]-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine.

Molecular Properties

Compound Name4-[3-(1,3-benzoxazol-2-yl)naphtho[2,3-b][1]benzofuran-2-yl]-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
PubChem CID171755170
Molecular FormulaC51H32N2O2
Molecular Weight704.83 g/mol
Exact Mass704.25
IUPAC Name4-[3-(1,3-benzoxazol-2-yl)naphtho[2,3-b][1]benzofuran-2-yl]-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc5c(cc4-c4nc6ccccc6o4)oc4cc6ccccc6cc45)c4ccccc34)cc2)cc1
InChIInChI=1S/C51H32N2O2/c1-3-13-33(14-4-1)34-23-25-38(26-24-34)53(37-17-5-2-6-18-37)47-28-27-40(39-19-9-10-20-41(39)47)42-31-44-43-29-35-15-7-8-16-36(35)30-49(43)54-50(44)32-45(42)51-52-46-21-11-12-22-48(46)55-51/h1-32H
InChIKeyVWMVPVAYZDAJLL-UHFFFAOYSA-N
XLogP14.50
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.83
LogP ≤ 514.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[3-(1,3-benzoxazol-2-yl)naphtho[2,3-b][1]benzofuran-2-yl]-N-phenyl-N-(4-phenylphenyl)naphthalen-1-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

11-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine
CID 171754421
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 177081856
N-[4-[5-(1,3-benzoxazol-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]-N,4-diphenylaniline
CID 171754887
N-[4-[4-[4-(1,3-benzoxazol-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-amine;N-[4-[4-[4-[4-(1,3-benzoxazol-2-yl)-N-naphthalen-2-ylanilino]phenyl]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine;4-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[4-(N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 159976801
N-naphthalen-2-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]naphthalen-1-yl]dibenzofuran-3-amine
CID 177116996
4-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,4-diamine
CID 59500994
4-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-N,N-diphenylaniline
CID 177081739
9-(1,3-benzoxazol-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-4-amine
CID 177082253
9-(1,3-benzoxazol-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 177082451
9-benzo[f][1,3]benzoxazol-2-yl-N-dibenzofuran-1-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 177081618
N-[4-[8-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]phenyl]-N,4-diphenylaniline
CID 171754673
4-[4-[7-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]phenyl]-N,N-diphenylaniline
CID 171755146

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,3-benzoxazol-2-yl)naphtho[2,3-b][1]benzofuran-2-yl]-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine?
The IUPAC name of 4-[3-(1,3-benzoxazol-2-yl)naphtho[2,3-b][1]benzofuran-2-yl]-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine (CID 171755170) is 4-[3-(1,3-benzoxazol-2-yl)naphtho[2,3-b][1]benzofuran-2-yl]-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine.
What is the SMILES notation for 4-[3-(1,3-benzoxazol-2-yl)naphtho[2,3-b][1]benzofuran-2-yl]-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine?
The canonical SMILES for 4-[3-(1,3-benzoxazol-2-yl)naphtho[2,3-b][1]benzofuran-2-yl]-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc5c(cc4-c4nc6ccccc6o4)oc4cc6ccccc6cc45)c4ccccc34)cc2)cc1.
What is the InChIKey of 4-[3-(1,3-benzoxazol-2-yl)naphtho[2,3-b][1]benzofuran-2-yl]-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine?
The InChIKey is VWMVPVAYZDAJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2O2/c1-3-13-33(14-4-1)34-23-25-38(26-24-34)53(37-17-5-2-6-18-37)47-28-27-40(39-19-9-10-20-41(39)47)42-31-44-43-29-35-15-7-8-16-36(35)30-49(43)54-50(44)32-45(42)51-52-46-21-11-12-22-48(46)55-51/h1-32H.
What are the key properties of 4-[3-(1,3-benzoxazol-2-yl)naphtho[2,3-b][1]benzofuran-2-yl]-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine?
4-[3-(1,3-benzoxazol-2-yl)naphtho[2,3-b][1]benzofuran-2-yl]-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine has a molecular weight of 704.83 g/mol, XLogP of 14.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,3-benzoxazol-2-yl)naphtho[2,3-b][1]benzofuran-2-yl]-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 171755170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).