3-dibenzofuran-1-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline

C55H34N2O3 — CID 170776807

IUPAC3-dibenzofuran-1-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4cc6oc(-c7ccccc7)nc6cc45)cc3)c3cccc(-c4cccc5oc6ccccc6c45)c3)cc2)cc1
InChIInChI=1S/C55H34N2O3/c1-3-11-35(12-4-1)36-21-26-41(27-22-36)57(43-16-9-15-40(31-43)44-18-10-20-50-54(44)46-17-7-8-19-49(46)58-50)42-28-23-37(24-29-42)39-25-30-45-47-33-48-53(34-52(47)59-51(45)32-39)60-55(56-48)38-13-5-2-6-14-38/h1-34H
InChIKeyHAEZWDDCDQMDDS-UHFFFAOYSA-N
MW770.89 g/mol
LogP15.76
Rot. Bonds7

About 3-dibenzofuran-1-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline

3-dibenzofuran-1-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 170776807) has the molecular formula C55H34N2O3 and a molecular weight of 770.89 g/mol. Its IUPAC name is 3-dibenzofuran-1-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-dibenzofuran-1-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline
PubChem CID170776807
Molecular FormulaC55H34N2O3
Molecular Weight770.89 g/mol
Exact Mass770.26
IUPAC Name3-dibenzofuran-1-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4cc6oc(-c7ccccc7)nc6cc45)cc3)c3cccc(-c4cccc5oc6ccccc6c45)c3)cc2)cc1
InChIInChI=1S/C55H34N2O3/c1-3-11-35(12-4-1)36-21-26-41(27-22-36)57(43-16-9-15-40(31-43)44-18-10-20-50-54(44)46-17-7-8-19-49(46)58-50)42-28-23-37(24-29-42)39-25-30-45-47-33-48-53(34-52(47)59-51(45)32-39)60-55(56-48)38-13-5-2-6-14-38/h1-34H
InChIKeyHAEZWDDCDQMDDS-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

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Related Compounds

N-phenyl-4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-5-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167127239
2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-6-amine
CID 167128243
N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-8-yl)phenyl]dibenzofuran-3-amine
CID 170776922
N-dibenzofuran-2-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-5-yl)phenyl]dibenzofuran-2-amine
CID 167127808
N-(4-naphthalen-1-ylphenyl)-N,2-diphenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine
CID 167127303
2-naphthalen-1-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 170776701
N,N-bis[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]dibenzofuran-3-amine
CID 170716713
N-(4-phenanthren-9-ylphenyl)-3-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]aniline
CID 170776795
N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 167127103
3-naphthalen-2-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167130080
N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline
CID 167127227
9-[4-(1,3-benzoxazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 171754195

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-1-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 3-dibenzofuran-1-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline (CID 170776807) is 3-dibenzofuran-1-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 3-dibenzofuran-1-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 3-dibenzofuran-1-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4cc6oc(-c7ccccc7)nc6cc45)cc3)c3cccc(-c4cccc5oc6ccccc6c45)c3)cc2)cc1.
What is the InChIKey of 3-dibenzofuran-1-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is HAEZWDDCDQMDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N2O3/c1-3-11-35(12-4-1)36-21-26-41(27-22-36)57(43-16-9-15-40(31-43)44-18-10-20-50-54(44)46-17-7-8-19-49(46)58-50)42-28-23-37(24-29-42)39-25-30-45-47-33-48-53(34-52(47)59-51(45)32-39)60-55(56-48)38-13-5-2-6-14-38/h1-34H.
What are the key properties of 3-dibenzofuran-1-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline?
3-dibenzofuran-1-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)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 3-dibenzofuran-1-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 170776807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).