11-dibenzofuran-2-yl-6,16-diphenyl-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14(19),15,17-nonaene-2,20-dione

C44H25NO3 — CID 118390318

IUPAC11-dibenzofuran-2-yl-6,16-diphenyl-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14(19),15,17-nonaene-2,20-dione
SMILESO=c1c2ccc(-c3ccccc3)cc2c2cc(-c3ccc4oc5ccccc5c4c3)cc3c4cc(-c5ccccc5)ccc4c(=O)n1c23
InChIInChI=1S/C44H25NO3/c46-43-33-18-15-28(26-9-3-1-4-10-26)21-35(33)38-24-31(30-17-20-41-37(23-30)32-13-7-8-14-40(32)48-41)25-39-36-22-29(27-11-5-2-6-12-27)16-19-34(36)44(47)45(43)42(38)39/h1-25H
InChIKeyQCQXDQJLFHJMLX-UHFFFAOYSA-N
MW615.69 g/mol
LogP10.46
Rot. Bonds3

About 11-dibenzofuran-2-yl-6,16-diphenyl-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14(19),15,17-nonaene-2,20-dione

11-dibenzofuran-2-yl-6,16-diphenyl-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14(19),15,17-nonaene-2,20-dione (PubChem CID 118390318) has the molecular formula C44H25NO3 and a molecular weight of 615.69 g/mol. Its IUPAC name is 11-dibenzofuran-2-yl-6,16-diphenyl-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14(19),15,17-nonaene-2,20-dione.

Molecular Properties

Compound Name11-dibenzofuran-2-yl-6,16-diphenyl-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14(19),15,17-nonaene-2,20-dione
PubChem CID118390318
Molecular FormulaC44H25NO3
Molecular Weight615.69 g/mol
Exact Mass615.18
IUPAC Name11-dibenzofuran-2-yl-6,16-diphenyl-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14(19),15,17-nonaene-2,20-dione
SMILESO=c1c2ccc(-c3ccccc3)cc2c2cc(-c3ccc4oc5ccccc5c4c3)cc3c4cc(-c5ccccc5)ccc4c(=O)n1c23
InChIInChI=1S/C44H25NO3/c46-43-33-18-15-28(26-9-3-1-4-10-26)21-35(33)38-24-31(30-17-20-41-37(23-30)32-13-7-8-14-40(32)48-41)25-39-36-22-29(27-11-5-2-6-12-27)16-19-34(36)44(47)45(43)42(38)39/h1-25H
InChIKeyQCQXDQJLFHJMLX-UHFFFAOYSA-N
XLogP10.46
TPSA51.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.69
LogP ≤ 510.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 11-dibenzofuran-2-yl-6,16-diphenyl-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14(19),15,17-nonaene-2,20-dione with MolForge

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Related Compounds

11-dibenzofuran-2-yl-5,17-diphenyl-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14(19),15,17-nonaene-2,20-dione
CID 118390329
10,15-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one
CID 146620445
2-[3-dibenzofuran-2-yl-5-[7-[3,5-di(dibenzofuran-2-yl)phenyl]triphenylen-2-yl]phenyl]dibenzofuran
CID 118490746
8-dibenzofuran-2-yl-3-(3,5-diphenylphenyl)benzo[c]chromen-6-one
CID 121242345
2-[3-(4-phenylphenyl)phenyl]-8-(3-triphenylen-2-ylphenyl)dibenzofuran
CID 118349959
11-[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaene-2,20-dione
CID 118390301
2-[4-[(4-dibenzofuran-2-ylphenyl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran
CID 59136885
8-dibenzofuran-2-yl-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one
CID 163394929
2-[3-(9,10-diphenylanthracen-2-yl)-5-(3-phenylphenyl)phenyl]dibenzofuran
CID 58261864
10-(3-triphenylen-2-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaen-19-one
CID 142451987
6-[3-(3-triphenylen-2-ylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 163594432
5-(10-dibenzofuran-2-ylanthracen-9-yl)-1-azahexacyclo[10.6.1.02,7.03,17.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13(18),14,16-nonaene
CID 171716863

Frequently Asked Questions

What is the IUPAC name of 11-dibenzofuran-2-yl-6,16-diphenyl-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14(19),15,17-nonaene-2,20-dione?
The IUPAC name of 11-dibenzofuran-2-yl-6,16-diphenyl-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14(19),15,17-nonaene-2,20-dione (CID 118390318) is 11-dibenzofuran-2-yl-6,16-diphenyl-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14(19),15,17-nonaene-2,20-dione.
What is the SMILES notation for 11-dibenzofuran-2-yl-6,16-diphenyl-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14(19),15,17-nonaene-2,20-dione?
The canonical SMILES for 11-dibenzofuran-2-yl-6,16-diphenyl-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14(19),15,17-nonaene-2,20-dione is O=c1c2ccc(-c3ccccc3)cc2c2cc(-c3ccc4oc5ccccc5c4c3)cc3c4cc(-c5ccccc5)ccc4c(=O)n1c23.
What is the InChIKey of 11-dibenzofuran-2-yl-6,16-diphenyl-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14(19),15,17-nonaene-2,20-dione?
The InChIKey is QCQXDQJLFHJMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H25NO3/c46-43-33-18-15-28(26-9-3-1-4-10-26)21-35(33)38-24-31(30-17-20-41-37(23-30)32-13-7-8-14-40(32)48-41)25-39-36-22-29(27-11-5-2-6-12-27)16-19-34(36)44(47)45(43)42(38)39/h1-25H.
What are the key properties of 11-dibenzofuran-2-yl-6,16-diphenyl-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14(19),15,17-nonaene-2,20-dione?
11-dibenzofuran-2-yl-6,16-diphenyl-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14(19),15,17-nonaene-2,20-dione has a molecular weight of 615.69 g/mol, XLogP of 10.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-dibenzofuran-2-yl-6,16-diphenyl-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14(19),15,17-nonaene-2,20-dione is sourced from PubChem (CID 118390318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).