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

C55H36N2O2 — CID 167128442

IUPAC2-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5c6nc(-c7ccccc7)oc6cc6oc7ccccc7c56)cc4)c4ccccc4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C55H36N2O2/c1-4-14-37(15-5-1)38-24-26-39(27-25-38)40-28-32-44(33-29-40)57(48-22-12-10-20-46(48)41-16-6-2-7-17-41)45-34-30-42(31-35-45)52-53-47-21-11-13-23-49(47)58-50(53)36-51-54(52)56-55(59-51)43-18-8-3-9-19-43/h1-36H
InChIKeyYWYJCLWPWQPTKX-UHFFFAOYSA-N
MW756.91 g/mol
LogP15.53
Rot. Bonds8

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

2-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 167128442) has the molecular formula C55H36N2O2 and a molecular weight of 756.91 g/mol. Its IUPAC name is 2-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name2-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID167128442
Molecular FormulaC55H36N2O2
Molecular Weight756.91 g/mol
Exact Mass756.28
IUPAC Name2-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5c6nc(-c7ccccc7)oc6cc6oc7ccccc7c56)cc4)c4ccccc4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C55H36N2O2/c1-4-14-37(15-5-1)38-24-26-39(27-25-38)40-28-32-44(33-29-40)57(48-22-12-10-20-46(48)41-16-6-2-7-17-41)45-34-30-42(31-35-45)52-53-47-21-11-13-23-49(47)58-50(53)36-51-54(52)56-55(59-51)43-18-8-3-9-19-43/h1-36H
InChIKeyYWYJCLWPWQPTKX-UHFFFAOYSA-N
XLogP15.53
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.91
LogP ≤ 515.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
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
2-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine
CID 167124784
N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine
CID 167128627
2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[1-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]dibenzofuran-2-yl]dibenzofuran-1-yl]phenyl]aniline
CID 138481415
N-(4-dibenzofuran-1-ylphenyl)-2-phenyl-N-(2-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-10-amine
CID 177119483
2-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-e][1,3]benzoxazol-5-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 171411790
N-(4-dibenzofuran-4-ylphenyl)-2-phenyl-N-(2-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine
CID 167123510
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

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of 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) is 2-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 2-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for 2-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5c6nc(-c7ccccc7)oc6cc6oc7ccccc7c56)cc4)c4ccccc4-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 2-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is YWYJCLWPWQPTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N2O2/c1-4-14-37(15-5-1)38-24-26-39(27-25-38)40-28-32-44(33-29-40)57(48-22-12-10-20-46(48)41-16-6-2-7-17-41)45-34-30-42(31-35-45)52-53-47-21-11-13-23-49(47)58-50(53)36-51-54(52)56-55(59-51)43-18-8-3-9-19-43/h1-36H.
What are the key properties of 2-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
2-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 756.91 g/mol, XLogP of 15.53, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 167128442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).