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

C55H34N2O3 — CID 167125406

IUPACN-[4-(2-dibenzofuran-1-yl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5oc6ccc7oc(-c8cccc9oc%10ccccc%10c89)nc7c6c5c4)cc3)c3cccc(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C55H34N2O3/c1-3-11-35(12-4-1)37-21-26-41(27-22-37)57(43-16-9-15-39(33-43)36-13-5-2-6-14-36)42-28-23-38(24-29-42)40-25-30-48-46(34-40)53-50(59-48)31-32-51-54(53)56-55(60-51)45-18-10-20-49-52(45)44-17-7-8-19-47(44)58-49/h1-34H
InChIKeyHSVNORIIBZWXSN-UHFFFAOYSA-N
MW770.89 g/mol
LogP15.76
Rot. Bonds7

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

N-[4-(2-dibenzofuran-1-yl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 167125406) has the molecular formula C55H34N2O3 and a molecular weight of 770.89 g/mol. Its IUPAC name is N-[4-(2-dibenzofuran-1-yl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(2-dibenzofuran-1-yl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
PubChem CID167125406
Molecular FormulaC55H34N2O3
Molecular Weight770.89 g/mol
Exact Mass770.26
IUPAC NameN-[4-(2-dibenzofuran-1-yl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5oc6ccc7oc(-c8cccc9oc%10ccccc%10c89)nc7c6c5c4)cc3)c3cccc(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C55H34N2O3/c1-3-11-35(12-4-1)37-21-26-41(27-22-37)57(43-16-9-15-39(33-43)36-13-5-2-6-14-36)42-28-23-38(24-29-42)40-25-30-48-46(34-40)53-50(59-48)31-32-51-54(53)56-55(60-51)45-18-10-20-49-52(45)44-17-7-8-19-47(44)58-49/h1-34H
InChIKeyHSVNORIIBZWXSN-UHFFFAOYSA-N
XLogP15.76
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.89
LogP ≤ 515.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[4-(2-dibenzofuran-1-yl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 167123146
9-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177081472
9-benzo[e][1,3]benzoxazol-2-yl-N-chrysen-2-yl-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 177081908
N-dibenzofuran-3-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167123474
3-dibenzothiophen-4-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167123440
9-(1,3-benzoxazol-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 177082064
N-(3-dibenzofuran-4-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167124598
N-(3-dibenzofuran-2-ylphenyl)-N,2-diphenylnaphtho[1,2-e][1,3]benzoxazol-9-amine
CID 174319290
N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]dibenzofuran-1-amine
CID 167125131
N-(4-dibenzofuran-2-ylphenyl)-N,2-diphenylnaphtho[1,2-e][1,3]benzoxazol-10-amine
CID 177119498
9-benzo[e][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 177081747
N-(4-dibenzofuran-4-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167123180

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-dibenzofuran-1-yl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(2-dibenzofuran-1-yl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline (CID 167125406) is N-[4-(2-dibenzofuran-1-yl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(2-dibenzofuran-1-yl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(2-dibenzofuran-1-yl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc5oc6ccc7oc(-c8cccc9oc%10ccccc%10c89)nc7c6c5c4)cc3)c3cccc(-c4ccccc4)c3)cc2)cc1.
What is the InChIKey of N-[4-(2-dibenzofuran-1-yl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is HSVNORIIBZWXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N2O3/c1-3-11-35(12-4-1)37-21-26-41(27-22-37)57(43-16-9-15-39(33-43)36-13-5-2-6-14-36)42-28-23-38(24-29-42)40-25-30-48-46(34-40)53-50(59-48)31-32-51-54(53)56-55(60-51)45-18-10-20-49-52(45)44-17-7-8-19-47(44)58-49/h1-34H.
What are the key properties of N-[4-(2-dibenzofuran-1-yl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline?
N-[4-(2-dibenzofuran-1-yl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 770.89 g/mol, XLogP of 15.76, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-dibenzofuran-1-yl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 167125406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).