4-naphthalen-1-yl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-7-yl)phenyl]aniline

C47H30N2O2 — CID 167125084

IUPAC4-naphthalen-1-yl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-7-yl)phenyl]aniline
SMILESc1ccc(-c2nc3c(ccc4oc5c(-c6ccc(N(c7ccccc7)c7ccc(-c8cccc9ccccc89)cc7)cc6)cccc5c43)o2)cc1
InChIInChI=1S/C47H30N2O2/c1-3-12-34(13-4-1)47-48-45-43(51-47)30-29-42-44(45)41-20-10-19-40(46(41)50-42)33-23-27-37(28-24-33)49(35-15-5-2-6-16-35)36-25-21-32(22-26-36)39-18-9-14-31-11-7-8-17-38(31)39/h1-30H
InChIKeyLYFROISBCJYLIH-UHFFFAOYSA-N
MW654.77 g/mol
LogP13.35
Rot. Bonds6

About 4-naphthalen-1-yl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-7-yl)phenyl]aniline

4-naphthalen-1-yl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-7-yl)phenyl]aniline (PubChem CID 167125084) has the molecular formula C47H30N2O2 and a molecular weight of 654.77 g/mol. Its IUPAC name is 4-naphthalen-1-yl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-7-yl)phenyl]aniline.

Molecular Properties

Compound Name4-naphthalen-1-yl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-7-yl)phenyl]aniline
PubChem CID167125084
Molecular FormulaC47H30N2O2
Molecular Weight654.77 g/mol
Exact Mass654.23
IUPAC Name4-naphthalen-1-yl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-7-yl)phenyl]aniline
SMILESc1ccc(-c2nc3c(ccc4oc5c(-c6ccc(N(c7ccccc7)c7ccc(-c8cccc9ccccc89)cc7)cc6)cccc5c43)o2)cc1
InChIInChI=1S/C47H30N2O2/c1-3-12-34(13-4-1)47-48-45-43(51-47)30-29-42-44(45)41-20-10-19-40(46(41)50-42)33-23-27-37(28-24-33)49(35-15-5-2-6-16-35)36-25-21-32(22-26-36)39-18-9-14-31-11-7-8-17-38(31)39/h1-30H
InChIKeyLYFROISBCJYLIH-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

4-naphthalen-1-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-N-phenylaniline
CID 170031129
N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-7-amine
CID 167124876
4-naphthalen-1-yl-N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)aniline
CID 134337475
9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-7-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine
CID 167124892
N-(4-dibenzofuran-4-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167123180
4-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167122967
N-(3-dibenzofuran-4-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167124598
9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
CID 167123619
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-phenylaniline
CID 162494606
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[3,2-e][1,3]benzoxazol-9-yl)phenyl]dibenzofuran-1-amine
CID 167125131
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159404463

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-7-yl)phenyl]aniline?
The IUPAC name of 4-naphthalen-1-yl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-7-yl)phenyl]aniline (CID 167125084) is 4-naphthalen-1-yl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-7-yl)phenyl]aniline.
What is the SMILES notation for 4-naphthalen-1-yl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-7-yl)phenyl]aniline?
The canonical SMILES for 4-naphthalen-1-yl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-7-yl)phenyl]aniline is c1ccc(-c2nc3c(ccc4oc5c(-c6ccc(N(c7ccccc7)c7ccc(-c8cccc9ccccc89)cc7)cc6)cccc5c43)o2)cc1.
What is the InChIKey of 4-naphthalen-1-yl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-7-yl)phenyl]aniline?
The InChIKey is LYFROISBCJYLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N2O2/c1-3-12-34(13-4-1)47-48-45-43(51-47)30-29-42-44(45)41-20-10-19-40(46(41)50-42)33-23-27-37(28-24-33)49(35-15-5-2-6-16-35)36-25-21-32(22-26-36)39-18-9-14-31-11-7-8-17-38(31)39/h1-30H.
What are the key properties of 4-naphthalen-1-yl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-7-yl)phenyl]aniline?
4-naphthalen-1-yl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-7-yl)phenyl]aniline 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 4-naphthalen-1-yl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-7-yl)phenyl]aniline is sourced from PubChem (CID 167125084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).