2-[[6-(N-phenylanilino)furo[3,2-b][1]benzofuran-2-yl]methylidene]indene-1,3-dione

C32H19NO4 — CID 137477114

IUPAC2-[[6-(N-phenylanilino)furo[3,2-b][1]benzofuran-2-yl]methylidene]indene-1,3-dione
SMILESO=C1C(=Cc2cc3oc4cc(N(c5ccccc5)c5ccccc5)ccc4c3o2)C(=O)c2ccccc21
InChIInChI=1S/C32H19NO4/c34-30-24-13-7-8-14-25(24)31(35)27(30)18-23-19-29-32(36-23)26-16-15-22(17-28(26)37-29)33(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-19H
InChIKeyZWSGZFFTBHXESU-UHFFFAOYSA-N
MW481.51 g/mol
LogP8.11
Rot. Bonds4

About 2-[[6-(N-phenylanilino)furo[3,2-b][1]benzofuran-2-yl]methylidene]indene-1,3-dione

2-[[6-(N-phenylanilino)furo[3,2-b][1]benzofuran-2-yl]methylidene]indene-1,3-dione (PubChem CID 137477114) has the molecular formula C32H19NO4 and a molecular weight of 481.51 g/mol. Its IUPAC name is 2-[[6-(N-phenylanilino)furo[3,2-b][1]benzofuran-2-yl]methylidene]indene-1,3-dione.

Molecular Properties

Compound Name2-[[6-(N-phenylanilino)furo[3,2-b][1]benzofuran-2-yl]methylidene]indene-1,3-dione
PubChem CID137477114
Molecular FormulaC32H19NO4
Molecular Weight481.51 g/mol
Exact Mass481.13
IUPAC Name2-[[6-(N-phenylanilino)furo[3,2-b][1]benzofuran-2-yl]methylidene]indene-1,3-dione
SMILESO=C1C(=Cc2cc3oc4cc(N(c5ccccc5)c5ccccc5)ccc4c3o2)C(=O)c2ccccc21
InChIInChI=1S/C32H19NO4/c34-30-24-13-7-8-14-25(24)31(35)27(30)18-23-19-29-32(36-23)26-16-15-22(17-28(26)37-29)33(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-19H
InChIKeyZWSGZFFTBHXESU-UHFFFAOYSA-N
XLogP8.11
TPSA63.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.51
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

3-(N-phenylanilino)chromeno[3,2-b]xanthene-12,14-dione
CID 164765343
1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 71126632
17,18-diphenyl-7-(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one
CID 164758765
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-3-amine
CID 176611362
1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-3-N-[3-(N-dibenzofuran-2-ylanilino)phenyl]-1-N-phenylbenzene-1,3-diamine
CID 134198303
N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]ethyl]phenyl]dibenzofuran-3-amine
CID 168810641
N-(4-phenylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 172501001
N-(2,6-diphenylphenyl)-N-phenyldibenzofuran-3-amine
CID 121287858
N,15-diphenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-7-amine
CID 171050143
N-dibenzofuran-3-yl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]dibenzofuran-3-amine
CID 121296704
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
N-phenyl-N-(4-phenylphenyl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine
CID 138651086

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(N-phenylanilino)furo[3,2-b][1]benzofuran-2-yl]methylidene]indene-1,3-dione?
The IUPAC name of 2-[[6-(N-phenylanilino)furo[3,2-b][1]benzofuran-2-yl]methylidene]indene-1,3-dione (CID 137477114) is 2-[[6-(N-phenylanilino)furo[3,2-b][1]benzofuran-2-yl]methylidene]indene-1,3-dione.
What is the SMILES notation for 2-[[6-(N-phenylanilino)furo[3,2-b][1]benzofuran-2-yl]methylidene]indene-1,3-dione?
The canonical SMILES for 2-[[6-(N-phenylanilino)furo[3,2-b][1]benzofuran-2-yl]methylidene]indene-1,3-dione is O=C1C(=Cc2cc3oc4cc(N(c5ccccc5)c5ccccc5)ccc4c3o2)C(=O)c2ccccc21.
What is the InChIKey of 2-[[6-(N-phenylanilino)furo[3,2-b][1]benzofuran-2-yl]methylidene]indene-1,3-dione?
The InChIKey is ZWSGZFFTBHXESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19NO4/c34-30-24-13-7-8-14-25(24)31(35)27(30)18-23-19-29-32(36-23)26-16-15-22(17-28(26)37-29)33(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-19H.
What are the key properties of 2-[[6-(N-phenylanilino)furo[3,2-b][1]benzofuran-2-yl]methylidene]indene-1,3-dione?
2-[[6-(N-phenylanilino)furo[3,2-b][1]benzofuran-2-yl]methylidene]indene-1,3-dione has a molecular weight of 481.51 g/mol, XLogP of 8.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(N-phenylanilino)furo[3,2-b][1]benzofuran-2-yl]methylidene]indene-1,3-dione is sourced from PubChem (CID 137477114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).