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

C53H34N2O2 — CID 167128436

IUPAC4-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4c5nc(-c6ccccc6)oc5cc5oc6ccccc6c45)cc3)c3ccc(-c4ccccc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C53H34N2O2/c1-4-14-35(15-5-1)36-24-28-40(29-25-36)55(46-33-32-42(37-16-6-2-7-17-37)43-20-10-11-21-44(43)46)41-30-26-38(27-31-41)50-51-45-22-12-13-23-47(45)56-48(51)34-49-52(50)54-53(57-49)39-18-8-3-9-19-39/h1-34H
InChIKeyNFXHLBLJNSYEHJ-UHFFFAOYSA-N
MW730.87 g/mol
LogP15.02
Rot. Bonds7

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

4-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine (PubChem CID 167128436) has the molecular formula C53H34N2O2 and a molecular weight of 730.87 g/mol. Its IUPAC name is 4-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine.

Molecular Properties

Compound Name4-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
PubChem CID167128436
Molecular FormulaC53H34N2O2
Molecular Weight730.87 g/mol
Exact Mass730.26
IUPAC Name4-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4c5nc(-c6ccccc6)oc5cc5oc6ccccc6c45)cc3)c3ccc(-c4ccccc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C53H34N2O2/c1-4-14-35(15-5-1)36-24-28-40(29-25-36)55(46-33-32-42(37-16-6-2-7-17-37)43-20-10-11-21-44(43)46)41-30-26-38(27-31-41)50-51-45-22-12-13-23-47(45)56-48(51)34-49-52(50)54-53(57-49)39-18-8-3-9-19-39/h1-34H
InChIKeyNFXHLBLJNSYEHJ-UHFFFAOYSA-N
XLogP15.02
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.87
LogP ≤ 515.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167128442
3-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 170776899
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
9,9-dimethyl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]fluoren-4-amine
CID 167129797
N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine
CID 167128627
N,2,4-triphenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-4-yl)phenyl]aniline
CID 167128026
N,4-diphenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-5-yl)phenyl]aniline
CID 167125241
4-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167123804
N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-10-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 167129857
N,2-diphenyl-N-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-f][1,3]benzoxazol-4-amine
CID 167129776
N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-4-amine
CID 167127574
N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]dibenzofuran-1-amine
CID 176785892

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?
The IUPAC name of 4-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine (CID 167128436) is 4-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine.
What is the SMILES notation for 4-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?
The canonical SMILES for 4-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4c5nc(-c6ccccc6)oc5cc5oc6ccccc6c45)cc3)c3ccc(-c4ccccc4)c4ccccc34)cc2)cc1.
What is the InChIKey of 4-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?
The InChIKey is NFXHLBLJNSYEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2O2/c1-4-14-35(15-5-1)36-24-28-40(29-25-36)55(46-33-32-42(37-16-6-2-7-17-37)43-20-10-11-21-44(43)46)41-30-26-38(27-31-41)50-51-45-22-12-13-23-47(45)56-48(51)34-49-52(50)54-53(57-49)39-18-8-3-9-19-39/h1-34H.
What are the key properties of 4-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?
4-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine has a molecular weight of 730.87 g/mol, XLogP of 15.02, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 167128436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).