N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine

C47H30N2O2 — CID 167127147

IUPACN-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3c4oc(-c5ccccc5)nc4cc4oc5ccccc5c34)c2)cc1
InChIInChI=1S/C47H30N2O2/c1-3-13-31(14-4-1)35-19-11-20-37(29-35)49(36-27-25-33(26-28-36)39-23-12-18-32-15-7-8-21-38(32)39)45-44-40-22-9-10-24-42(40)50-43(44)30-41-46(45)51-47(48-41)34-16-5-2-6-17-34/h1-30H
InChIKeyJMGNLRJQYJEUMN-UHFFFAOYSA-N
MW654.77 g/mol
LogP13.35
Rot. Bonds6

About N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine

N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine (PubChem CID 167127147) has the molecular formula C47H30N2O2 and a molecular weight of 654.77 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine
PubChem CID167127147
Molecular FormulaC47H30N2O2
Molecular Weight654.77 g/mol
Exact Mass654.23
IUPAC NameN-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3c4oc(-c5ccccc5)nc4cc4oc5ccccc5c34)c2)cc1
InChIInChI=1S/C47H30N2O2/c1-3-13-31(14-4-1)35-19-11-20-37(29-35)49(36-27-25-33(26-28-36)39-23-12-18-32-15-7-8-21-38(32)39)45-44-40-22-9-10-24-42(40)50-43(44)30-41-46(45)51-47(48-41)34-16-5-2-6-17-34/h1-30H
InChIKeyJMGNLRJQYJEUMN-UHFFFAOYSA-N
XLogP13.35
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.77
LogP ≤ 513.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-4-amine
CID 167127574
N-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine
CID 167123885
2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine
CID 167129379
9-benzo[g][1,3]benzoxazol-2-yl-N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 177081895
N,2-diphenyl-N-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-f][1,3]benzoxazol-4-amine
CID 167129776
9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-4-yl)phenyl]fluoren-3-amine
CID 167129534
N,2,4-triphenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-4-yl)phenyl]aniline
CID 167128026
3-naphthalen-1-yl-N-[4-(2-naphthalen-1-yl-1,3-benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 176785675
2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167124553
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 157200619
N-(4-naphthalen-1-ylphenyl)-3-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-8-yl)phenyl]aniline
CID 167127200
N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]dibenzothiophen-3-amine
CID 167124823

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine (CID 167127147) is N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine is c1ccc(-c2cccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3c4oc(-c5ccccc5)nc4cc4oc5ccccc5c34)c2)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine?
The InChIKey is JMGNLRJQYJEUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N2O2/c1-3-13-31(14-4-1)35-19-11-20-37(29-35)49(36-27-25-33(26-28-36)39-23-12-18-32-15-7-8-21-38(32)39)45-44-40-22-9-10-24-42(40)50-43(44)30-41-46(45)51-47(48-41)34-16-5-2-6-17-34/h1-30H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine?
N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine has a molecular weight of 654.77 g/mol, XLogP of 13.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine is sourced from PubChem (CID 167127147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).