18-(3,3a-dihydrofluoranthen-2-yl)-15-naphthalen-2-yl-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene

C50H30N2O — CID 147559301

IUPAC18-(3,3a-dihydrofluoranthen-2-yl)-15-naphthalen-2-yl-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene
SMILESC1=CC2CC(n3c4ccccc4c4ccc5c6c7oc8ccccc8c7ccc6n(-c6ccc7ccccc7c6)c5c43)=CC3=C2C(=C1)c1ccccc13
InChIInChI=1S/C50H30N2O/c1-2-11-30-26-32(21-20-29(30)10-1)51-44-25-24-40-37-16-6-8-19-45(37)53-50(40)47(44)41-23-22-39-36-15-5-7-18-43(36)52(48(39)49(41)51)33-27-31-12-9-17-38-34-13-3-4-14-35(34)42(28-33)46(31)38/h1-26,28,31H,27H2
InChIKeyFSHRVZLNGWKIRX-UHFFFAOYSA-N
MW674.80 g/mol
LogP13.23
Rot. Bonds2

About 18-(3,3a-dihydrofluoranthen-2-yl)-15-naphthalen-2-yl-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene

18-(3,3a-dihydrofluoranthen-2-yl)-15-naphthalen-2-yl-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene (PubChem CID 147559301) has the molecular formula C50H30N2O and a molecular weight of 674.80 g/mol. Its IUPAC name is 18-(3,3a-dihydrofluoranthen-2-yl)-15-naphthalen-2-yl-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene.

Molecular Properties

Compound Name18-(3,3a-dihydrofluoranthen-2-yl)-15-naphthalen-2-yl-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene
PubChem CID147559301
Molecular FormulaC50H30N2O
Molecular Weight674.80 g/mol
Exact Mass674.24
IUPAC Name18-(3,3a-dihydrofluoranthen-2-yl)-15-naphthalen-2-yl-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene
SMILESC1=CC2CC(n3c4ccccc4c4ccc5c6c7oc8ccccc8c7ccc6n(-c6ccc7ccccc7c6)c5c43)=CC3=C2C(=C1)c1ccccc13
InChIInChI=1S/C50H30N2O/c1-2-11-30-26-32(21-20-29(30)10-1)51-44-25-24-40-37-16-6-8-19-45(37)53-50(40)47(44)41-23-22-39-36-15-5-7-18-43(36)52(48(39)49(41)51)33-27-31-12-9-17-38-34-13-3-4-14-35(34)42(28-33)46(31)38/h1-26,28,31H,27H2
InChIKeyFSHRVZLNGWKIRX-UHFFFAOYSA-N
XLogP13.23
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.80
LogP ≤ 513.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 18-(3,3a-dihydrofluoranthen-2-yl)-15-naphthalen-2-yl-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene with MolForge

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Related Compounds

18-fluoranthen-3-yl-15-naphthalen-2-yl-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene
CID 126680282
15-naphthalen-2-yl-3-oxa-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
CID 118652925
5-dibenzofuran-4-yl-12-naphthalen-2-ylindolo[3,2-c]carbazole
CID 167029640
15-fluoranthen-2-yl-24-naphthalen-2-yl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
CID 126678003
15-naphthalen-2-yl-18-(4-naphthalen-2-ylquinazolin-2-yl)-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene
CID 140957425
18-naphthalen-2-yl-15-(4-naphthalen-2-ylquinazolin-2-yl)-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene
CID 126679343
15-phenanthren-9-yl-18-phenyl-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene
CID 126679019
18-fluoranthen-2-yl-15-(3-phenylphenyl)-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene
CID 126677916
12-dibenzofuran-2-yl-5-naphthalen-2-ylindolo[3,2-c]carbazole
CID 167030159
24-[4-(6-methyl-5,6-dihydrotriphenylen-2-yl)phenyl]-15-naphthalen-2-yl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
CID 126677998
15-fluoranthen-8-yl-18-naphthalen-2-yl-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene
CID 126680212
12-(5-phenylnaphthalen-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 118502601

Frequently Asked Questions

What is the IUPAC name of 18-(3,3a-dihydrofluoranthen-2-yl)-15-naphthalen-2-yl-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene?
The IUPAC name of 18-(3,3a-dihydrofluoranthen-2-yl)-15-naphthalen-2-yl-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene (CID 147559301) is 18-(3,3a-dihydrofluoranthen-2-yl)-15-naphthalen-2-yl-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene.
What is the SMILES notation for 18-(3,3a-dihydrofluoranthen-2-yl)-15-naphthalen-2-yl-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene?
The canonical SMILES for 18-(3,3a-dihydrofluoranthen-2-yl)-15-naphthalen-2-yl-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene is C1=CC2CC(n3c4ccccc4c4ccc5c6c7oc8ccccc8c7ccc6n(-c6ccc7ccccc7c6)c5c43)=CC3=C2C(=C1)c1ccccc13.
What is the InChIKey of 18-(3,3a-dihydrofluoranthen-2-yl)-15-naphthalen-2-yl-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene?
The InChIKey is FSHRVZLNGWKIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N2O/c1-2-11-30-26-32(21-20-29(30)10-1)51-44-25-24-40-37-16-6-8-19-45(37)53-50(40)47(44)41-23-22-39-36-15-5-7-18-43(36)52(48(39)49(41)51)33-27-31-12-9-17-38-34-13-3-4-14-35(34)42(28-33)46(31)38/h1-26,28,31H,27H2.
What are the key properties of 18-(3,3a-dihydrofluoranthen-2-yl)-15-naphthalen-2-yl-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene?
18-(3,3a-dihydrofluoranthen-2-yl)-15-naphthalen-2-yl-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene has a molecular weight of 674.80 g/mol, XLogP of 13.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 18-(3,3a-dihydrofluoranthen-2-yl)-15-naphthalen-2-yl-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene is sourced from PubChem (CID 147559301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).