4-(2-dibenzofuran-3-yl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline

C50H32N2O2 — CID 153475803

IUPAC4-(2-dibenzofuran-3-yl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline
SMILESc1ccc(-c2c3cc(-c4ccc5c(c4)oc4ccccc45)ccc3n3c2oc2c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cccc23)cc1
InChIInChI=1S/C50H32N2O2/c1-4-13-34(14-5-1)48-43-31-35(36-25-29-42-41-19-10-11-22-46(41)53-47(42)32-36)26-30-44(43)52-45-21-12-20-40(49(45)54-50(48)52)33-23-27-39(28-24-33)51(37-15-6-2-7-16-37)38-17-8-3-9-18-38/h1-32H
InChIKeyMTOZLZAVPYNURK-UHFFFAOYSA-N
MW692.82 g/mol
LogP14.21
Rot. Bonds6

About 4-(2-dibenzofuran-3-yl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline

4-(2-dibenzofuran-3-yl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline (PubChem CID 153475803) has the molecular formula C50H32N2O2 and a molecular weight of 692.82 g/mol. Its IUPAC name is 4-(2-dibenzofuran-3-yl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Name4-(2-dibenzofuran-3-yl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline
PubChem CID153475803
Molecular FormulaC50H32N2O2
Molecular Weight692.82 g/mol
Exact Mass692.25
IUPAC Name4-(2-dibenzofuran-3-yl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline
SMILESc1ccc(-c2c3cc(-c4ccc5c(c4)oc4ccccc45)ccc3n3c2oc2c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cccc23)cc1
InChIInChI=1S/C50H32N2O2/c1-4-13-34(14-5-1)48-43-31-35(36-25-29-42-41-19-10-11-22-46(41)53-47(42)32-36)26-30-44(43)52-45-21-12-20-40(49(45)54-50(48)52)33-23-27-39(28-24-33)51(37-15-6-2-7-16-37)38-17-8-3-9-18-38/h1-32H
InChIKeyMTOZLZAVPYNURK-UHFFFAOYSA-N
XLogP14.21
TPSA33.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.82
LogP ≤ 514.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzofuran-3-yl-N-[3-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]dibenzofuran-3-amine
CID 148565262
N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]dibenzofuran-1-amine
CID 153475737
N,N-diphenyl-4-[11-phenyl-7-(2-phenylphenyl)indolo[2,1-b][1,3]benzoxazol-9-yl]aniline
CID 153475743
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-(4-phenylphenyl)aniline
CID 118963196
N-dibenzofuran-3-yl-N-(4-dibenzofuran-3-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine
CID 160891251
4-phenyl-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 153475880
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 118179975
N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118186800
N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]phenanthren-9-amine
CID 153475781
N,N-bis(4-dibenzofuran-3-ylphenyl)-3-(2-phenylphenyl)aniline
CID 129130047
N-(3-phenylphenyl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[3-[4-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 158679681
N-(4-dibenzofuran-3-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168804997

Frequently Asked Questions

What is the IUPAC name of 4-(2-dibenzofuran-3-yl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline?
The IUPAC name of 4-(2-dibenzofuran-3-yl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline (CID 153475803) is 4-(2-dibenzofuran-3-yl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline.
What is the SMILES notation for 4-(2-dibenzofuran-3-yl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline?
The canonical SMILES for 4-(2-dibenzofuran-3-yl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline is c1ccc(-c2c3cc(-c4ccc5c(c4)oc4ccccc45)ccc3n3c2oc2c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cccc23)cc1.
What is the InChIKey of 4-(2-dibenzofuran-3-yl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline?
The InChIKey is MTOZLZAVPYNURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2O2/c1-4-13-34(14-5-1)48-43-31-35(36-25-29-42-41-19-10-11-22-46(41)53-47(42)32-36)26-30-44(43)52-45-21-12-20-40(49(45)54-50(48)52)33-23-27-39(28-24-33)51(37-15-6-2-7-16-37)38-17-8-3-9-18-38/h1-32H.
What are the key properties of 4-(2-dibenzofuran-3-yl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline?
4-(2-dibenzofuran-3-yl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline has a molecular weight of 692.82 g/mol, XLogP of 14.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-dibenzofuran-3-yl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline is sourced from PubChem (CID 153475803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).