2-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine

C49H32N2O2 — CID 167124784

IUPAC2-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3cc4oc(-c5ccccc5)nc4c4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C49H32N2O2/c1-4-14-33(15-5-1)35-24-26-37(27-25-35)40-20-10-12-22-42(40)51(39-30-28-36(29-31-39)34-16-6-2-7-17-34)43-32-45-47(50-49(53-45)38-18-8-3-9-19-38)46-41-21-11-13-23-44(41)52-48(43)46/h1-32H
InChIKeyDYBMVKMATZYJPB-UHFFFAOYSA-N
MW680.81 g/mol
LogP13.86
Rot. Bonds7

About 2-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine

2-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine (PubChem CID 167124784) has the molecular formula C49H32N2O2 and a molecular weight of 680.81 g/mol. Its IUPAC name is 2-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine.

Molecular Properties

Compound Name2-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine
PubChem CID167124784
Molecular FormulaC49H32N2O2
Molecular Weight680.81 g/mol
Exact Mass680.25
IUPAC Name2-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3cc4oc(-c5ccccc5)nc4c4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C49H32N2O2/c1-4-14-33(15-5-1)35-24-26-37(27-25-35)40-20-10-12-22-42(40)51(39-30-28-36(29-31-39)34-16-6-2-7-17-34)43-32-45-47(50-49(53-45)38-18-8-3-9-19-38)46-41-21-11-13-23-44(41)52-48(43)46/h1-32H
InChIKeyDYBMVKMATZYJPB-UHFFFAOYSA-N
XLogP13.86
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.81
LogP ≤ 513.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-2-phenyl-N-(2-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine
CID 167123510
N-(2-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine
CID 167124873
N,4-diphenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-5-yl)phenyl]aniline
CID 167125241
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
N-dibenzothiophen-3-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine
CID 167124695
N-(2-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-5-amine
CID 167122952
N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine
CID 167123339
2-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-e][1,3]benzoxazol-5-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 171411790
N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-12-amine
CID 138651140
N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-6-amine
CID 170030751
N-(4-dibenzofuran-1-ylphenyl)-2-phenyl-N-(2-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-10-amine
CID 177119483
N-dibenzofuran-1-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-4-amine
CID 167124362

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine?
The IUPAC name of 2-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine (CID 167124784) is 2-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine.
What is the SMILES notation for 2-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine?
The canonical SMILES for 2-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine is c1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3cc4oc(-c5ccccc5)nc4c4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of 2-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine?
The InChIKey is DYBMVKMATZYJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2O2/c1-4-14-33(15-5-1)35-24-26-37(27-25-35)40-20-10-12-22-42(40)51(39-30-28-36(29-31-39)34-16-6-2-7-17-34)43-32-45-47(50-49(53-45)38-18-8-3-9-19-38)46-41-21-11-13-23-44(41)52-48(43)46/h1-32H.
What are the key properties of 2-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine?
2-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine has a molecular weight of 680.81 g/mol, XLogP of 13.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine is sourced from PubChem (CID 167124784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).