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

C50H30N2O3 — CID 148565262

IUPACN-dibenzofuran-3-yl-N-[3-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2c3ccccc3n3c2oc2c(-c4cccc(N(c5ccc6c(c5)oc5ccccc56)c5ccc6c(c5)oc5ccccc56)c4)cccc23)cc1
InChIInChI=1S/C50H30N2O3/c1-2-12-31(13-3-1)48-41-18-4-7-20-42(41)52-43-21-11-19-36(49(43)55-50(48)52)32-14-10-15-33(28-32)51(34-24-26-39-37-16-5-8-22-44(37)53-46(39)29-34)35-25-27-40-38-17-6-9-23-45(38)54-47(40)30-35/h1-30H
InChIKeyMVULFNHFMGDXRZ-UHFFFAOYSA-N
MW706.80 g/mol
LogP14.44
Rot. Bonds5

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

N-dibenzofuran-3-yl-N-[3-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]dibenzofuran-3-amine (PubChem CID 148565262) has the molecular formula C50H30N2O3 and a molecular weight of 706.80 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-[3-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N-[3-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]dibenzofuran-3-amine
PubChem CID148565262
Molecular FormulaC50H30N2O3
Molecular Weight706.80 g/mol
Exact Mass706.23
IUPAC NameN-dibenzofuran-3-yl-N-[3-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2c3ccccc3n3c2oc2c(-c4cccc(N(c5ccc6c(c5)oc5ccccc56)c5ccc6c(c5)oc5ccccc56)c4)cccc23)cc1
InChIInChI=1S/C50H30N2O3/c1-2-12-31(13-3-1)48-41-18-4-7-20-42(41)52-43-21-11-19-36(49(43)55-50(48)52)32-14-10-15-33(28-32)51(34-24-26-39-37-16-5-8-22-44(37)53-46(39)29-34)35-25-27-40-38-17-6-9-23-45(38)54-47(40)30-35/h1-30H
InChIKeyMVULFNHFMGDXRZ-UHFFFAOYSA-N
XLogP14.44
TPSA47.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.80
LogP ≤ 514.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-dibenzofuran-3-yl-11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)-N,N-diphenylaniline
CID 153475803
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-dibenzofuran-3-yl-N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]dibenzofuran-3-amine
CID 164980239
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-dibenzofuran-3-yl-N-[3-[3-[4-(12-phenylindolo[1,2-b]isoquinolin-11-yl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 146508487
N,N-bis(4-naphthalen-1-ylphenyl)-12-phenylindolo[1,2-b]isoquinolin-9-amine;N-dibenzofuran-3-yl-N-[3-[3-(12-phenylindolo[1,2-b]isoquinolin-8-yl)phenyl]phenyl]dibenzofuran-3-amine;N,N-diphenyl-4-[4-(12-phenylindolo[1,2-b]isoquinolin-8-yl)phenyl]aniline;N-(4-naphthalen-1-ylphenyl)-12-phenyl-N-[4-(4-phenylphenyl)phenyl]indolo[1,2-b]isoquinolin-9-amine;12-phenyl-N,N-bis(4-phenylphenyl)indolo[1,2-b]isoquinolin-9-amine;N-[3-(12-phenylindolo[1,2-b]isoquinolin-8-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 161084145
N-dibenzofuran-3-yl-N-[4-(7-phenylindolo[1,2-a]quinolin-6-yl)phenyl]dibenzofuran-3-amine
CID 146508978
N-dibenzofuran-3-yl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]dibenzofuran-3-amine
CID 121296704
N-(3-phenylphenyl)-N-[4-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 158852047
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]-3-(3-phenylphenyl)aniline
CID 153314841
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-amine
CID 70808580

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-[3-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-dibenzofuran-3-yl-N-[3-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]dibenzofuran-3-amine (CID 148565262) is N-dibenzofuran-3-yl-N-[3-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N-[3-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N-[3-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]dibenzofuran-3-amine is c1ccc(-c2c3ccccc3n3c2oc2c(-c4cccc(N(c5ccc6c(c5)oc5ccccc56)c5ccc6c(c5)oc5ccccc56)c4)cccc23)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-N-[3-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]dibenzofuran-3-amine?
The InChIKey is MVULFNHFMGDXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N2O3/c1-2-12-31(13-3-1)48-41-18-4-7-20-42(41)52-43-21-11-19-36(49(43)55-50(48)52)32-14-10-15-33(28-32)51(34-24-26-39-37-16-5-8-22-44(37)53-46(39)29-34)35-25-27-40-38-17-6-9-23-45(38)54-47(40)30-35/h1-30H.
What are the key properties of N-dibenzofuran-3-yl-N-[3-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]dibenzofuran-3-amine?
N-dibenzofuran-3-yl-N-[3-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]dibenzofuran-3-amine has a molecular weight of 706.80 g/mol, XLogP of 14.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-N-[3-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 148565262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).