7-[3-(8-naphthalen-1-yldibenzofuran-4-yl)phenyl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene

C53H31NO2 — CID 166009763

IUPAC7-[3-(8-naphthalen-1-yldibenzofuran-4-yl)phenyl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene
SMILESc1ccc(-c2nc3ccccc3c3c2ccc2oc4c(-c5cccc(-c6cccc7c6oc6ccc(-c8cccc9ccccc89)cc67)c5)cccc4c23)cc1
InChIInChI=1S/C53H31NO2/c1-2-13-33(14-3-1)51-43-27-29-48-50(49(43)42-19-6-7-25-46(42)54-51)44-24-11-22-40(53(44)56-48)35-17-8-16-34(30-35)39-21-10-23-41-45-31-36(26-28-47(45)55-52(39)41)38-20-9-15-32-12-4-5-18-37(32)38/h1-31H
InChIKeyXJRGNEVOCJVPAR-UHFFFAOYSA-N
MW713.84 g/mol
LogP15.01
Rot. Bonds4

About 7-[3-(8-naphthalen-1-yldibenzofuran-4-yl)phenyl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene

7-[3-(8-naphthalen-1-yldibenzofuran-4-yl)phenyl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene (PubChem CID 166009763) has the molecular formula C53H31NO2 and a molecular weight of 713.84 g/mol. Its IUPAC name is 7-[3-(8-naphthalen-1-yldibenzofuran-4-yl)phenyl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene.

Molecular Properties

Compound Name7-[3-(8-naphthalen-1-yldibenzofuran-4-yl)phenyl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene
PubChem CID166009763
Molecular FormulaC53H31NO2
Molecular Weight713.84 g/mol
Exact Mass713.24
IUPAC Name7-[3-(8-naphthalen-1-yldibenzofuran-4-yl)phenyl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene
SMILESc1ccc(-c2nc3ccccc3c3c2ccc2oc4c(-c5cccc(-c6cccc7c6oc6ccc(-c8cccc9ccccc89)cc67)c5)cccc4c23)cc1
InChIInChI=1S/C53H31NO2/c1-2-13-33(14-3-1)51-43-27-29-48-50(49(43)42-19-6-7-25-46(42)54-51)44-24-11-22-40(53(44)56-48)35-17-8-16-34(30-35)39-21-10-23-41-45-31-36(26-28-47(45)55-52(39)41)38-20-9-15-32-12-4-5-18-37(32)38/h1-31H
InChIKeyXJRGNEVOCJVPAR-UHFFFAOYSA-N
XLogP15.01
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.84
LogP ≤ 515.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-[3-(8-naphthalen-1-yldibenzofuran-4-yl)phenyl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene with MolForge

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Related Compounds

9-[3-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-6-phenylbenzo[k]phenanthridine
CID 118332304
5-(4-dibenzothiophen-3-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene
CID 166009951
14-[4-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129124541
7-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene
CID 166010000
8-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 90433616
7-(4-dibenzofuran-4-ylphenyl)benzo[k][1,8]phenanthroline
CID 122471900
2-(8-naphthalen-2-ylpyren-1-yl)-6-phenyldibenzofuran
CID 170150575
7-[3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]phenyl]-14-phenyl-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene
CID 166009973
18-[8-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16(21),17,19,22-undecaene
CID 130185578
20-[12-(3-naphthalen-1-ylphenyl)benzo[10]annulen-5-yl]-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaene
CID 130212360
2-(9-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-yl)-3-phenylquinoxaline
CID 176818625
2,4-diphenyl-6-[3-[8-(3-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 118651034

Frequently Asked Questions

What is the IUPAC name of 7-[3-(8-naphthalen-1-yldibenzofuran-4-yl)phenyl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene?
The IUPAC name of 7-[3-(8-naphthalen-1-yldibenzofuran-4-yl)phenyl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene (CID 166009763) is 7-[3-(8-naphthalen-1-yldibenzofuran-4-yl)phenyl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene.
What is the SMILES notation for 7-[3-(8-naphthalen-1-yldibenzofuran-4-yl)phenyl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene?
The canonical SMILES for 7-[3-(8-naphthalen-1-yldibenzofuran-4-yl)phenyl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene is c1ccc(-c2nc3ccccc3c3c2ccc2oc4c(-c5cccc(-c6cccc7c6oc6ccc(-c8cccc9ccccc89)cc67)c5)cccc4c23)cc1.
What is the InChIKey of 7-[3-(8-naphthalen-1-yldibenzofuran-4-yl)phenyl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene?
The InChIKey is XJRGNEVOCJVPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H31NO2/c1-2-13-33(14-3-1)51-43-27-29-48-50(49(43)42-19-6-7-25-46(42)54-51)44-24-11-22-40(53(44)56-48)35-17-8-16-34(30-35)39-21-10-23-41-45-31-36(26-28-47(45)55-52(39)41)38-20-9-15-32-12-4-5-18-37(32)38/h1-31H.
What are the key properties of 7-[3-(8-naphthalen-1-yldibenzofuran-4-yl)phenyl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene?
7-[3-(8-naphthalen-1-yldibenzofuran-4-yl)phenyl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene has a molecular weight of 713.84 g/mol, XLogP of 15.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(8-naphthalen-1-yldibenzofuran-4-yl)phenyl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene is sourced from PubChem (CID 166009763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).