N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-4-(4-phenylphenyl)aniline

C49H32N2O2 — CID 167123049

IUPACN-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-4-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6oc7ccc8nc(-c9ccccc9)oc8c7c6c5)cc4)cc3)cc2)cc1
InChIInChI=1S/C49H32N2O2/c1-4-10-33(11-5-1)34-16-18-35(19-17-34)36-20-25-41(26-21-36)51(40-14-8-3-9-15-40)42-27-22-37(23-28-42)39-24-30-45-43(32-39)47-46(52-45)31-29-44-48(47)53-49(50-44)38-12-6-2-7-13-38/h1-32H
InChIKeySUUNMECRDQAZIG-UHFFFAOYSA-N
MW680.81 g/mol
LogP13.86
Rot. Bonds7

About N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-4-(4-phenylphenyl)aniline

N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-4-(4-phenylphenyl)aniline (PubChem CID 167123049) has the molecular formula C49H32N2O2 and a molecular weight of 680.81 g/mol. Its IUPAC name is N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-4-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-4-(4-phenylphenyl)aniline
PubChem CID167123049
Molecular FormulaC49H32N2O2
Molecular Weight680.81 g/mol
Exact Mass680.25
IUPAC NameN-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-4-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6oc7ccc8nc(-c9ccccc9)oc8c7c6c5)cc4)cc3)cc2)cc1
InChIInChI=1S/C49H32N2O2/c1-4-10-33(11-5-1)34-16-18-35(19-17-34)36-20-25-41(26-21-36)51(40-14-8-3-9-15-40)42-27-22-37(23-28-42)39-24-30-45-43(32-39)47-46(52-45)31-29-44-48(47)53-49(50-44)38-12-6-2-7-13-38/h1-32H
InChIKeySUUNMECRDQAZIG-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

2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167124553
N-dibenzothiophen-2-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]dibenzothiophen-3-amine
CID 167123703
N-phenanthren-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167123128
4-dibenzofuran-2-yl-N-(4-naphtho[2,1-g][1,3]benzoxazol-2-ylphenyl)-N-phenylaniline
CID 177119854
N,4-diphenyl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]aniline
CID 154030880
3-dibenzothiophen-1-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167124820
N-(4-dibenzofuran-2-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-9-amine
CID 177119768
N,N-di(dibenzofuran-3-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167125004
9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
CID 167124844
N-phenanthren-2-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167122976
2-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167122974
N-(4-dibenzofuran-2-ylphenyl)-3-naphtho[2,1-g][1,3]benzoxazol-2-yl-N-phenylaniline
CID 177119767

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-4-(4-phenylphenyl)aniline?
The IUPAC name of N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-4-(4-phenylphenyl)aniline (CID 167123049) is N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-4-(4-phenylphenyl)aniline.
What is the SMILES notation for N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-4-(4-phenylphenyl)aniline?
The canonical SMILES for N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-4-(4-phenylphenyl)aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6oc7ccc8nc(-c9ccccc9)oc8c7c6c5)cc4)cc3)cc2)cc1.
What is the InChIKey of N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-4-(4-phenylphenyl)aniline?
The InChIKey is SUUNMECRDQAZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2O2/c1-4-10-33(11-5-1)34-16-18-35(19-17-34)36-20-25-41(26-21-36)51(40-14-8-3-9-15-40)42-27-22-37(23-28-42)39-24-30-45-43(32-39)47-46(52-45)31-29-44-48(47)53-49(50-44)38-12-6-2-7-13-38/h1-32H.
What are the key properties of N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-4-(4-phenylphenyl)aniline?
N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-4-(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 N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-4-(4-phenylphenyl)aniline is sourced from PubChem (CID 167123049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).