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

C49H32N2O2 — CID 167123804

IUPAC4-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc5oc6ccccc6c5c5oc(-c6ccccc6)nc45)cc3)cc2)cc1
InChIInChI=1S/C49H32N2O2/c1-4-12-33(13-5-1)35-20-26-39(27-21-35)51(40-28-22-36(23-29-40)34-14-6-2-7-15-34)41-30-24-37(25-31-41)43-32-45-46(42-18-10-11-19-44(42)52-45)48-47(43)50-49(53-48)38-16-8-3-9-17-38/h1-32H
InChIKeyQRPZQQUXZHDYFK-UHFFFAOYSA-N
MW680.81 g/mol
LogP13.86
Rot. Bonds7

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

4-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 167123804) has the molecular formula C49H32N2O2 and a molecular weight of 680.81 g/mol. Its IUPAC name is 4-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name4-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)phenyl]-N-(4-phenylphenyl)aniline
PubChem CID167123804
Molecular FormulaC49H32N2O2
Molecular Weight680.81 g/mol
Exact Mass680.25
IUPAC Name4-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc5oc6ccccc6c5c5oc(-c6ccccc6)nc45)cc3)cc2)cc1
InChIInChI=1S/C49H32N2O2/c1-4-12-33(13-5-1)35-20-26-39(27-21-35)51(40-28-22-36(23-29-40)34-14-6-2-7-15-34)41-30-24-37(25-31-41)43-32-45-46(42-18-10-11-19-44(42)52-45)48-47(43)50-49(53-48)38-16-8-3-9-17-38/h1-32H
InChIKeyQRPZQQUXZHDYFK-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

Analyze 4-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)phenyl]-N-(4-phenylphenyl)aniline with MolForge

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Related Compounds

N-dibenzofuran-1-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-4-amine
CID 167124362
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[2,3-g][1,3]benzoxazol-7-yl)phenyl]-N-[4-[3-[3-[4-[4-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)-N-[3-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]phenyl]-2-(4-phenylphenyl)aniline
CID 167124692
N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-amine
CID 167123009
N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N-phenyldibenzofuran-3-amine
CID 176785778
N,4-diphenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-e][1,3]benzoxazol-4-yl)phenyl]aniline
CID 176851605
N-[4-(7,18-dioxa-9-azapentacyclo[13.2.1.05,17.06,10.011,16]octadeca-1,3,5(17),6(10),8,11(16),12,14-octaen-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 177089709
N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N,4-diphenylaniline
CID 176785610
N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 167123049
N-(4-naphtho[2,1-b][1]benzofuran-5-ylphenyl)-N,4-diphenylaniline
CID 170030744
N-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine
CID 167123885
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

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 4-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)phenyl]-N-(4-phenylphenyl)aniline (CID 167123804) is 4-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 4-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 4-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)phenyl]-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc5oc6ccccc6c5c5oc(-c6ccccc6)nc45)cc3)cc2)cc1.
What is the InChIKey of 4-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is QRPZQQUXZHDYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2O2/c1-4-12-33(13-5-1)35-20-26-39(27-21-35)51(40-28-22-36(23-29-40)34-14-6-2-7-15-34)41-30-24-37(25-31-41)43-32-45-46(42-18-10-11-19-44(42)52-45)48-47(43)50-49(53-48)38-16-8-3-9-17-38/h1-32H.
What are the key properties of 4-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)phenyl]-N-(4-phenylphenyl)aniline?
4-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)phenyl]-N-(4-phenylphenyl)aniline 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 4-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 167123804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).