3-(9-dibenzofuran-4-yl-9-naphthalen-2-ylacridin-10-yl)-N,N-diphenylaniline

C53H36N2O — CID 146511290

IUPAC3-(9-dibenzofuran-4-yl-9-naphthalen-2-ylacridin-10-yl)-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2cccc(N3c4ccccc4C(c4ccc5ccccc5c4)(c4cccc5c4oc4ccccc45)c4ccccc43)c2)cc1
InChIInChI=1S/C53H36N2O/c1-3-19-40(20-4-1)54(41-21-5-2-6-22-41)42-23-15-24-43(36-42)55-49-30-12-10-27-46(49)53(47-28-11-13-31-50(47)55,39-34-33-37-17-7-8-18-38(37)35-39)48-29-16-26-45-44-25-9-14-32-51(44)56-52(45)48/h1-36H
InChIKeyXDBNKVHDWSFENJ-UHFFFAOYSA-N
MW716.88 g/mol
LogP14.37
Rot. Bonds6

About 3-(9-dibenzofuran-4-yl-9-naphthalen-2-ylacridin-10-yl)-N,N-diphenylaniline

3-(9-dibenzofuran-4-yl-9-naphthalen-2-ylacridin-10-yl)-N,N-diphenylaniline (PubChem CID 146511290) has the molecular formula C53H36N2O and a molecular weight of 716.88 g/mol. Its IUPAC name is 3-(9-dibenzofuran-4-yl-9-naphthalen-2-ylacridin-10-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Name3-(9-dibenzofuran-4-yl-9-naphthalen-2-ylacridin-10-yl)-N,N-diphenylaniline
PubChem CID146511290
Molecular FormulaC53H36N2O
Molecular Weight716.88 g/mol
Exact Mass716.28
IUPAC Name3-(9-dibenzofuran-4-yl-9-naphthalen-2-ylacridin-10-yl)-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2cccc(N3c4ccccc4C(c4ccc5ccccc5c4)(c4cccc5c4oc4ccccc45)c4ccccc43)c2)cc1
InChIInChI=1S/C53H36N2O/c1-3-19-40(20-4-1)54(41-21-5-2-6-22-41)42-23-15-24-43(36-42)55-49-30-12-10-27-46(49)53(47-28-11-13-31-50(47)55,39-34-33-37-17-7-8-18-38(37)35-39)48-29-16-26-45-44-25-9-14-32-51(44)56-52(45)48/h1-36H
InChIKeyXDBNKVHDWSFENJ-UHFFFAOYSA-N
XLogP14.37
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.88
LogP ≤ 514.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[9-[4-(N-dibenzofuran-4-ylanilino)phenyl]-10-phenylacridin-9-yl]phenyl]-N-phenyldibenzofuran-4-amine;4-(9,10-diphenylacridin-9-yl)-N-[4-(9,10-diphenylacridin-9-yl)phenyl]-N-phenylaniline
CID 161331273
6-N,6-N-dinaphthalen-2-yl-4-N-phenyl-4-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-4,6-diamine
CID 155483246
5-(9-dibenzofuran-4-ylfluoren-9-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 118004741
9-dibenzofuran-4-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(3-methyl-4-phenylphenyl)acridine
CID 146510967
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-naphthalen-2-ylfluoren-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164769036
N-[4-(11-dibenzofuran-4-ylbenzo[b]fluoren-11-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline;N-[4-[9-(9,9-dimethylfluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[4-[9-(9,9-dimethylfluoren-2-yl)fluoren-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158241809
N-[4-(9-dibenzofuran-4-yl-9-phenylacridin-10-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;9-dibenzothiophen-4-yl-10-(9,9-dimethylfluoren-2-yl)-9-phenylacridine;9-dibenzothiophen-4-yl-9-phenyl-10-(9-phenylcarbazol-3-yl)acridine
CID 162162744
N-phenyl-N-[4-(1,6,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-2-amine
CID 168750812
7-(21,21-dimethyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-N-naphthalen-1-yl-N-phenylphenanthren-2-amine
CID 146213041
N-(4-dibenzofuran-2-ylphenyl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine;N-(4-dibenzofuran-4-ylphenyl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine;N-phenyl-N-[4-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)phenyl]dibenzofuran-2-amine
CID 159499661
N-(2-methylphenyl)-N-[4-[4-(9-naphtho[2,1-b][1]benzofuran-6-yl-9-phenylacridin-10-yl)phenyl]phenyl]naphthalen-1-amine
CID 146511438
N-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121383293

Frequently Asked Questions

What is the IUPAC name of 3-(9-dibenzofuran-4-yl-9-naphthalen-2-ylacridin-10-yl)-N,N-diphenylaniline?
The IUPAC name of 3-(9-dibenzofuran-4-yl-9-naphthalen-2-ylacridin-10-yl)-N,N-diphenylaniline (CID 146511290) is 3-(9-dibenzofuran-4-yl-9-naphthalen-2-ylacridin-10-yl)-N,N-diphenylaniline.
What is the SMILES notation for 3-(9-dibenzofuran-4-yl-9-naphthalen-2-ylacridin-10-yl)-N,N-diphenylaniline?
The canonical SMILES for 3-(9-dibenzofuran-4-yl-9-naphthalen-2-ylacridin-10-yl)-N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2cccc(N3c4ccccc4C(c4ccc5ccccc5c4)(c4cccc5c4oc4ccccc45)c4ccccc43)c2)cc1.
What is the InChIKey of 3-(9-dibenzofuran-4-yl-9-naphthalen-2-ylacridin-10-yl)-N,N-diphenylaniline?
The InChIKey is XDBNKVHDWSFENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N2O/c1-3-19-40(20-4-1)54(41-21-5-2-6-22-41)42-23-15-24-43(36-42)55-49-30-12-10-27-46(49)53(47-28-11-13-31-50(47)55,39-34-33-37-17-7-8-18-38(37)35-39)48-29-16-26-45-44-25-9-14-32-51(44)56-52(45)48/h1-36H.
What are the key properties of 3-(9-dibenzofuran-4-yl-9-naphthalen-2-ylacridin-10-yl)-N,N-diphenylaniline?
3-(9-dibenzofuran-4-yl-9-naphthalen-2-ylacridin-10-yl)-N,N-diphenylaniline has a molecular weight of 716.88 g/mol, XLogP of 14.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-dibenzofuran-4-yl-9-naphthalen-2-ylacridin-10-yl)-N,N-diphenylaniline is sourced from PubChem (CID 146511290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).