4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-10-yl)phenyl]aniline

C47H30N2O2 — CID 167129971

IUPAC4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-10-yl)phenyl]aniline
SMILESc1ccc(-c2nc3c(-c4ccc(N(c5ccccc5)c5ccc(-c6ccc7ccccc7c6)cc5)cc4)c4oc5ccccc5c4cc3o2)cc1
InChIInChI=1S/C47H30N2O2/c1-3-12-34(13-4-1)47-48-45-43(51-47)30-41-40-17-9-10-18-42(40)50-46(41)44(45)33-23-27-39(28-24-33)49(37-15-5-2-6-16-37)38-25-21-32(22-26-38)36-20-19-31-11-7-8-14-35(31)29-36/h1-30H
InChIKeyZBPOOYIRLCCEDI-UHFFFAOYSA-N
MW654.77 g/mol
LogP13.35
Rot. Bonds6

About 4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-10-yl)phenyl]aniline

4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-10-yl)phenyl]aniline (PubChem CID 167129971) has the molecular formula C47H30N2O2 and a molecular weight of 654.77 g/mol. Its IUPAC name is 4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-10-yl)phenyl]aniline.

Molecular Properties

Compound Name4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-10-yl)phenyl]aniline
PubChem CID167129971
Molecular FormulaC47H30N2O2
Molecular Weight654.77 g/mol
Exact Mass654.23
IUPAC Name4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-10-yl)phenyl]aniline
SMILESc1ccc(-c2nc3c(-c4ccc(N(c5ccccc5)c5ccc(-c6ccc7ccccc7c6)cc5)cc4)c4oc5ccccc5c4cc3o2)cc1
InChIInChI=1S/C47H30N2O2/c1-3-12-34(13-4-1)47-48-45-43(51-47)30-41-40-17-9-10-18-42(40)50-46(41)44(45)33-23-27-39(28-24-33)49(37-15-5-2-6-16-37)38-25-21-32(22-26-38)36-20-19-31-11-7-8-14-35(31)29-36/h1-30H
InChIKeyZBPOOYIRLCCEDI-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-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-10-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 167129857
N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-10-yl)phenyl]-3-(4-phenylphenyl)aniline
CID 167128841
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]aniline
CID 167128625
N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 167128306
N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 167128971
10-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole
CID 170776778
2-phenyl-N,N-bis(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine
CID 167128770
N,4-diphenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-5-yl)phenyl]aniline
CID 167125241
N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine
CID 167128627
4-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167129252
N-[4-[3-[4-(1,3-benzoxazol-2-yl)phenyl]naphtho[2,3-b][1]benzofuran-6-yl]phenyl]-N,4-diphenylaniline
CID 171755420
N,4-diphenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-e][1,3]benzoxazol-4-yl)phenyl]aniline
CID 176851605

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-10-yl)phenyl]aniline?
The IUPAC name of 4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-10-yl)phenyl]aniline (CID 167129971) is 4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-10-yl)phenyl]aniline.
What is the SMILES notation for 4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-10-yl)phenyl]aniline?
The canonical SMILES for 4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-10-yl)phenyl]aniline is c1ccc(-c2nc3c(-c4ccc(N(c5ccccc5)c5ccc(-c6ccc7ccccc7c6)cc5)cc4)c4oc5ccccc5c4cc3o2)cc1.
What is the InChIKey of 4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-10-yl)phenyl]aniline?
The InChIKey is ZBPOOYIRLCCEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N2O2/c1-3-12-34(13-4-1)47-48-45-43(51-47)30-41-40-17-9-10-18-42(40)50-46(41)44(45)33-23-27-39(28-24-33)49(37-15-5-2-6-16-37)38-25-21-32(22-26-38)36-20-19-31-11-7-8-14-35(31)29-36/h1-30H.
What are the key properties of 4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-10-yl)phenyl]aniline?
4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-10-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-2-yl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-10-yl)phenyl]aniline is sourced from PubChem (CID 167129971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).